Guillermin Agüero Chapin (6A1E-E706-A0F1)

Curriculum Vitae

Guillermin Agüero Chapin

Guillermin Agüero Chapin, PhD, is an Auxiliary Researcher at CIIMAR (Interdisciplinary Centre of Marine and Environmental Research, University of Porto, Portugal), where he has been working since 2018. He obtained a degree in Pharmaceutical Sciences from the Universidad Central de Las Villas (UCLV, Cuba) in 1998, recognised in Spain in 2013, and a Master’s degree in Biochemistry from the "Dr. Zerafin de Zarate Ruiz" Medical School, Cuba, in 2009 (graduated with excellence). He holds a PhD in Biology from the University of Porto (2009-2013), with distinction for his thesis on TI2BioP, an innovative alignment-free (AF) method for the detection of functional and evolutionary signals in gene, protein and peptide classes relevant to drug discovery. From 2014 to 2018, Dr. Agüero was a postdoctoral researcher at CIIMAR, where he led the EvoNeering project, an evolutionary platform for bioactive peptide engineering supported by ancestral enzymatic activities for the development of novel peptide drugs. His research expertise spans molecular biology, genetic engineering and chemo/bioinformatics, with a particular focus on artificial intelligence-based solutions and complex networks for the prediction and analysis of bioactive and antimicrobial peptides (AMPs). Research stays at institutions in Italy, Belgium, Spain, Ecuador, Mexico, Germany, Cuba and Portugal have significantly shaped his work, particularly in the integration of marine invertebrate omics data and classical/emerging screening tools for the discovery of next-generation antibiotics from AMPs. Dr. Agüero has published 59 papers in WoS, with more than 90% in Q1 journals, accumulating more than 1,000 citations and an h-index of 17. In the last five years he has published 25 papers, of which 10 as first author and 7 as corresponding author. He has also written two books: Alignment-Free Models in Plant Genomics (Nova Science Publishers, 2010) and Computational Approaches in Discovery & Design of Antimicrobial Peptides (MDPI, 2023). His leadership in the scientific community includes presenting at over 30 conferences and serving as a Scientific Member and Session Chair for the MOL2NET International Conferences (2020-2024). He has been a guest editor for several journals, including Antibiotics (2021-2024), Frontiers in Bioinformatics (2022-2024), Frontiers in Microbiology, and Toxins (2024). In 2015, he was awarded the Annual Prize of the Cuban Academy of Sciences. Dr. Agüero has contributed to the mentoring and supervision of several undergraduate students, as well as the co-supervision of a PhD thesis in 2016 and an MSc thesis in 2021. He is currently co-supervising two PhD projects: one in Computational Intelligence at the University of Granada, Spain, and another focused on innovations in marine venom at FCUP, Portugal. His academic contributions include serving on academic committees in Portugal (Master, 2021), Spain and Italy (PhD, 2022-2023). In the last five years, he has participated in four FCT-funded projects, including as Co-PI of PTDC/CTA-AMB/31774/2017 and as PI of the COB 2023 project "Computer-Aided Search for Next Generation Antibiotics from Cephalopods' Salivary Gland Proteomes", funded by CIIMAR/FCT. In addition to his research and mentoring roles, Dr. Agüero is a dedicated reviewer for prestigious journals such as Scientific Reports, BMC Bioinformatics, and J. Proteome Research. He has also served as an evaluator for research projects in Ecuador, Chile, and the Canadian poultry industry. He is a member of the Topic and Reviewer Board for Marine Drugs and Antibiotics (2020-2024). His current research focuses on the discovery and design of peptide drugs using both classical and innovative computational approaches, with a particular emphasis on marine sources to address the urgent challenge of antimicrobial resistance.

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Identification

Personal identification

Full name: Guillermin Agüero Chapin

Citation names

Agüero-Chapin, G

Author identifiers

Ciência ID: 6A1E-E706-A0F1
ORCID iD: 0000-0002-9908-2418
Google Scholar ID: user=3_E35bkAAAAJ&hl
Researcher Id: C-8067-2019
Scopus Author Id: 57194289684

Email addresses

gchapin@ciimar.up.pt (Professional)

Telephones

Telephone

223401800 (Professional)

Addresses

Terminal de Cruzeiros de Leixões. Av. General Norton de Matos s/n, Matosinhos, 4450-208, Porto, Matosinhos, Portugal (Professional)

Websites

https://www.ciimar.up.pt/members/guillermin-aguero-chapin/ (Professional)
https://www.webofscience.com/wos/author/record/C-8067-2019 (Scholar)
https://scholar.google.com/citations?hl=es&user=3_E35bkAAAAJ (Scholar)

Knowledge fields

Exact Sciences - Computer and Information Sciences - Bioinformatics
Natural sciences - Biological Sciences - Biochemistry
Medical and Health Sciences - Basic Medicine - Medicinal Chemistry
Engineering and Technology - Industrial Biotechnology - Biofuels
Agrarian Sciences - Agrarian and Food Biotechnology - Agricultural Biotechnology and Food Biotechnology

Languages

Language	Speaking	Reading	Writing	Listening
Spanish; Castilian (Mother tongue)
English	Advanced (C1)	Advanced (C1)	Advanced (C1)	Advanced (C1)
Portuguese	Upper intermediate (B2)	Upper intermediate (B2)	Upper intermediate (B2)	Upper intermediate (B2)

Education

	Degree	Classification
2014/04 - 2018/08 Concluded	An Evolution-Based Framework to Engineer the Synthesis of Biologically Active Oligopeptides (Pós-doutoramento) Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal
2013/11/07 Concluded	Programa Doutoral em Biologia, UP (Doutoramento) Universidade do Porto Faculdade de Ciências, Portugal Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal "A Graphical and Numerical Approach for Functional Annotation and Phylogenetic Inference" (THESIS/DISSERTATION)	Aprovado com Distinção
2009/01/28 Concluded	Master in General Biochemistry (Master) Universidad de Ciencias Médicas de Villa Clara, Cuba "Application of the MARCH-INSIDE methodolgy to search more efficient cellulase complexes " (THESIS/DISSERTATION)	excellente (5 in 5) or 20 values
1998/07/17 Concluded	Pharmaceutical Sciences (Bachelor) Universidad Central Marta Abreu de las Villas, Cuba "Study of parameters influencing on banano genetic transformation using gene gun" (THESIS/DISSERTATION)	Excellent (4.88 out of 5) or 19.52 in 20

Affiliation

Science

	Category Host institution	Employer
2018/09/01 - Current	Auxiliary Researcher (Research)	Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal
	Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal
2019/03/01 - 2019/06/30	Visiting Researcher (Research)	Universitat de València, Spain
	Universitat de València Facultat de Medicina i Odontologia, Spain
2014/04 - 2018/08	Postdoc (Research)	Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal

2018/05 - 2018/07	Visiting Researcher (Research)	Universidad Central Marta Abreu de las Villas - Centro de Bioactivos Químicos, Cuba

2016/05 - 2016/08	Visiting Researcher (Research)	Universidad Técnica Particular de Loja Área Biológica y Biomédica, Ecuador

2016/01 - 2016/04	Visiting Researcher (Research)	Universidad de Granada Escuela Técnica Superior de Ingenierías Informática y de Telecomunicación, Spain

2012/06 - 2012/09	Visiting Researcher (Research)	Katholieke Universiteit Leuven Centrum voor Microbiële en Plantengenetica, Belgium

2008/09 - 2008/12	Visiting Researcher (Research)	Universidad de Santiago de Compostela Departamento de Química Orgánica, Spain

2008/05 - 2008/07	Visiting Researcher (Research)	Universidade de Vigo, Spain

2006/09 - 2008/04	Research Assistant (Research)	Universidad Central Marta Abreu de las Villas - Centro de Bioactivos Químicos, Cuba

2006/03 - 2006/06	Visiting Researcher (Research)	Università degli Studi di Cagliari Dipartimento Farmaco Chimico Tecnologico, Italy

2002 - 2006	Research Assistant (Research)	Universidad Central Marta Abreu de las Villas - CAP/Facultad de Química y Farmacia, Cuba

2000 - 2002	Research Trainee (Research)	Universidad Central Marta Abreu de las Villas - Instituto de Biotecnología de las Plantas, Cuba

1998 - 2000	Research Trainee (Research)	Centro de Ingenieria Genetica y Biotecnologia, Cuba

Others

	Category Host institution	Employer
2024/08/01 - 2024/09/30	Visiting Researcher at Core Facility Functional Peptidomics, University of Ulm, Germany	Fundação para a Ciência e a Tecnologia, Portugal
	Core Facility Functional Peptidomics, University of ULM, Germany
2022/01 - 2022/03	Visiting Researcher at Universidad Nacional Autónoma de México (Instituto de Química)	Fundação para a Ciência e a Tecnologia, Portugal
	Universidad Nacional Autónoma de México Instituto de Quimica, Mexico
2013/11 - 2014/03	Research fellow (project)	Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal

2009/09 - 2013/11	PhD student	Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal

2008 - 2009	Research fellow (project)	Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal
	Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal

Projects

Grant

	Designation	Funders
2023/02/28 - 2024/05/31	Computer-Aided Search for Next Generation Antibiotics from Cephalopods' Salivary Glands Proteomes. UIDB_(COB) Principal investigator Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental Ongoing
2018/07 - 2021/07	SYMBIOMICS - Omics of marine symbioses: Metabarcoding and metagenomics characterization of host - microbe adaptation and novel biosynthetic gene clusters PTDC/BIA-BMA/29985/2017 NORTE/01/0145/FEDER/029985 Researcher Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Fundação para a Ciência e a Tecnologia European Regional Development Fund Concluded
2018/07 - 2021/07	SEXOMICS- Sex and the environment: Genomic decoding and the perpetuation of animal life in a changing world PTDC/CTA-AMB/31774/2017 POCI-01-0145-FEDER/031774/2017 PTDC/CTA-AMB/31774/2017 Co-Principal Investigator (Co-PI) Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Fundação para a Ciência e a Tecnologia European Regional Development Fund Concluded
2016/06 - 2019/06	Animal sensory diversity: innovative genomic solutions to enhance perception of environmental stimuli PTDC/AAG-GLO/6887/2014 Researcher Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Fundação para a Ciência e a Tecnologia Concluded
2014/04/01 - 2018/08	EvoNeering: An Evolution-Based Framework to Engineer the Synthesis of Biologically Active Oligopeptides SFRH/BPD/92978/2013 Post-doc Fellow Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Fundação para a Ciência e a Tecnologia Concluded
2013/10 - 2014/03	Estudo da modelação das vias de sinalização dos retinóides e das hormonas da tiróide, por disruptores endócrinos, em invertebrados PTDC/MAR/115199/2009 Research Fellow Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Fundação para a Ciência e a Tecnologia Concluded
2009/09 - 2013/08	Development of an alignment-free tool based on Quantitative Sequence Function Relationship (QSFR) studies to screen genomes and proteomes of microorganisms: Genomic and proteomic analyses of polyketide synthases and nonribosomal peptide synthetases SFRH/BD/47256/2008 PhD Student Fellow Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Fundação para a Ciência e a Tecnologia Concluded
2008/04 - 2008/09	Phenogenetic drift in evolution: insights into the genetic basis of vertebrate developmental genes PTDC/BIA-BDE/69144/2006 Research Fellow Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Fundação para a Ciência e a Tecnologia Concluded
2006 - 2008	Searching for efficient cellulase complexes to improve ethanol production from lignocellulosic wastes CYTED IV.21 Research Fellow Universidad Central Marta Abreu de las Villas - CAP/Facultad de Química y Farmacia, Cuba	Ciencia y Tecnología para el Desarrollo Ministerio de Educacion Superior Republica Cuba Concluded
2000 - 2002	Lengthening of post-harvest life of tropical fruits through the manipulation of genes involved in ripening process TCP/PER/6713 Scientific Initiation Fellow Universidad Central Marta Abreu de las Villas - Instituto de Biotecnología de las Plantas, Cuba	Food and Agriculture Organization of the United Nations Ministerio de Ciencia Tecnologia y Medio Ambiente Concluded

Contract

	Designation	Funders
2020/09/15 - 2026/09/14	EvoNeering: An Evolution-Motivated Genetic Engineering for the Biosynthesis of Antitumor Peptides derived from Marine Cyanobacteria CEECIND/00543/2018/CP1574/CT0002 10.54499/CEECIND/00543/2018/CP1574/CT0002 Principal investigator Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Fundação para a Ciência e a Tecnologia Ongoing
2021/01/01 - 2025/12/31	Centro de Investigação Marinha e Ambiental 10.54499/LA/P/0101/2020 Centro de Ciências do Mar, Portugal Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Fundação para a Ciência e a Tecnologia Ongoing

Outputs

Publications

Book	Galpert Cañizares, D; Agüero-Chapin, G; Molina-Ruiz, R; Bello-Perez, R. Inteligencia artificial y otras tecnologías para una sociedad digital.. Havana, Cuba: Universidad de La Habana, Ciudad Habana. 2024. Published Agüero-Chapin, G. Computational Approaches in Discovery & Design of Antimicrobial Peptides. Basel, Switzerland: MDPI. 2023. Published • 10.3390/books978-3-0365-7960-3 • Editor González-Díaz, H; Agüero-Chapin, G; Munteanu, C; Prado-Prado, F.J; Chou, Kuo-Chen; Patlewicz, G; López-Díaz, A. Alignment-free models in plant genomics: Theoretical, experimental, and legal issues. New York, United States: Nova Science Publisher. 2010. Published
Book chapter	Galpert-Cañizares, D; del Río, S ; Herrera, F; Ancede-Gallardo, Evys; Antunes, A; Agüero-Chapin, G. "Big Data Supervised Pairwise Ortholog Detection in Yeasts". In Yeast - Industrial Applications, 42-63. Croatia: InTech, 2017. 10.5772/intechopen.70479 Agüero-Chapin, G; Molina-Ruiz, R; Pérez-Machado, G; Vasconcelos, Vítor; Rodríguez-Negrin, Z; Antunes, A. "TI2BioP — Topological Indices to BioPolymers. A Graphical– Numerical Approach for Bioinformatics". In Recent Advances in Biopolymers, 254-277. Croatia: InTech, 2016. 10.5772/61887 Agüero-Chapin, G; Pérez-Machado, G; Sánchez-Rodríguez, A; Santos, M; Antunes, A. "Alignment-Free Methods for the Detection and Specificity Prediction of Adenylation Domains". In Nonribosomal Peptide and Polyketide Biosynthesis, 253-272. United States: Springer New York, 2016. 10.1007/978-1-4939-3375-4_16 González-Díaz, H; Agüero-Chapin, G; Munteanu, C; Prado-Prado, F.J; Chou, KC; Duardo-Sanchez, A; Patlewicz, G; López-Díaz, Antonio. "Alignment-free models in Plant Genomics: Theoretical, Experimental, and Legal issues". In Advances in Genetics Research, edited by Maria A. Osborne. New York, United States: Nova Science Publisher, 2011. Published
Conference paper	Castillo-Mendieta, Kevin; Marrero-Ponce, Yovani; Agüero-Chapin, Guillermin; Pérez-Cárdenas, Mariela. Corresponding author: Agüero-Chapin, Guillermin. "In Silico Discovery of Hemolytic Peptides Through a Novel Approach Based on Network Science and Similarity Searching Methods". Paper presented in 1st International Electronic Conference on Toxics, Basel, 2024. Agüero-Chapin, G. "Emerging Computational Approaches for Antimicrobial Peptide Discovery". Paper presented in MOL2NET'22, Conference on Molecular, Biomedical & Computational Sciences and Engineering, 8th ed., Cambridge, 2022. Published • https://doi.org/10.3390/mol2net-08-13484 Agüero-Chapin, Guillermin; García-Hernández, Enrique; Ruiz-Blanco, Yasser; Ávila-Barrientos, Luis; Hernández-García, Enrique; Antunes, Agostinho. "Engineering protein fragments via evolutionary and protein-protein interaction algorithms: De novo design of peptide inhibitors for FOF1-ATP synthase.". Paper presented in MOL2NET'22, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 8th ed., 2022. Published • 10.3390/mol2net-08-13936 Marrero-Ponce, Yovani; Romero, Maylin; Rodríguez, Hortensia; Agüero-Chapin, G; Antunes, Agostinho; Aguilera-Mendoza, Longendri; Martinez-Rios, Felix. "A Novel Network Science and Similarity-Searching-Based Approach for Discovering Potential Tumor-Homing Peptides from Antimicrobials". Paper presented in MOL2NET'22, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 8th ed., 2022. Published • 10.3390/mol2net-08-13937 Agüero-Chapin, G. "MOL2NET Highlights on: Graph Theory-Based Sequence Descriptors as Remote Homology Predictors". Paper presented in MOL2NET 2020, International Conference on Multidisciplinary Sciences, 6th edition, Bilbao, 2020. Published • 10.3390/mol2net-06-06819 Agüero-Chapin, G; Pérez-Machado, G; Antunes, Agostinho; Vitor Vasconselos. "The RNase III substrate specificity from that the E. coli’s to the Humans’". Paper presented in MOL2NET 2020, International Conference on Multidisciplinary Sciences, 6th edition: session USEDAT-08: USA-Europe Data Analysis Training Program Workshop, Miami, 2020. Published • 10.3390/mol2net-06-06887 Agüero-Chapin, G. "SeqDivA: Sequence Diversity Analysis Tool for Detecting the Twilight Zone of Alignment Algorithms". Paper presented in MOL2NET 2020, International Conference on Multidisciplinary Sciences, 6th edition, Bilbao, 2020. Published • 10.3390/mol2net-06-06883 Agüero-Chapin, G. "Ensemble K-means for semi-supervised learning in enzymatic activity classification of GH-70 enzymes". Paper presented in MOL2NET 2020, International Conference on Multidisciplinary Sciences, 6th edition, Valencia, 2020. Published • 10.3390/mol2net-06-06891 Galpert Cañizares, D; Fernández, A; Herrera, F; Antunes, A; Molina Ruiz, R; Agüero-Chapin, G. "Surveying Alignment-free Features for Ortholog Detection in Related Yeast Proteomes by using Supervised Big Data Classifiers". Paper presented in MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition, 2018. 10.3390/mol2net-04-05468 Galpert Cañizares, D; del Río García, S; Herrera, F; Ancede Gallardo, E; Antunes, A; Agüero-Chapin, G. "Pairwise Ortholog Detection in Related Yeast Species by Using Big Data Supervised Classifications". Paper presented in MOL2NET, International Conference on Multidisciplinary Sciences, 2015. Published • 10.3390/mol2net-1-e002 Agüero-Chapin, G; Molina Ruiz, R; Antunes, A. "TI2BioP: Topological Indices to BioPolymers". Paper presented in MOL2NET, International Conference on Multidisciplinary Sciences, 2015. Published • 10.3390/mol2net-1-f011 Teijeira, M; Pérez González, M; Morales Helguera, A; Agüero-Chapin, G; Perez Machado, G; Terán, C. "A new approach of the substructural analysis toward the design of A (1) adenosine receptor agonists". Paper presented in Third Join Italian-German Purine Club Meeting, Camerino, 2009. Published • 10.1007/s11302-009-9170-2
Conference poster	Agüero-Chapin, G. "Virtual proteolysis strategy to explore the repertoire of antimicrobial peptides from Cnidaria". Paper presented in Investigação Jovem da U.Porto – IJUP (17 ed.), 2024. Agüero-Chapin, G. "ProtDCal aplicación 3: Desarrollo de modelos de identificación de enzimas mediante nuevos descriptores 3D de proteínas.". Paper presented in VI International Symposium of Chemistry, Villa Clara. Cuba, 2016.
Journal article	Bernal, Anthony; Márquez, Edgar A.; Flores-Sumoza, Máryury; Cuesta, Sebastián A.; Mora, José Ramón; Paz, José L.; Mendoza-Mendoza, Adel; et al. "Molecular Modeling of Vasodilatory Activity: Unveiling Novel Candidates Through Density Functional Theory, QSAR, and Molecular Dynamics". International Journal of Molecular Sciences 25 23 (2024): 12649. http://dx.doi.org/10.3390/ijms252312649. Open access • Published • 10.3390/ijms252312649 Guillermin Agüero-Chapin; Dany Domínguez-Pérez; Yovani Marrero-Ponce; Kevin Castillo-Mendieta; Agostinho Antunes. "Unveiling Encrypted Antimicrobial Peptides from Cephalopods’ Salivary Glands: A Proteolysis-Driven Virtual Approach". ACS Omega (2024): https://doi.org/10.1021/acsomega.4c01959. 10.1021/acsomega.4c01959 Castillo-Mendieta, Kevin; Agüero-Chapin, G; Marquez, Edgar A.; Perez-Castillo, Yunierkis; Barigye, Stephen J.; Vispo, Nelson Santiago; García-Jacas, Cesar R.; Marrero-Ponce, Yovani. "Peptide hemolytic activity analysis using visual data mining of similarity-based complex networks". npj Systems Biology and Applications 10 1 (2024): http://dx.doi.org/10.1038/s41540-024-00429-2. 10.1038/s41540-024-00429-2 Kevin Castillo-Mendieta; Guillermin Agüero-Chapin; José R Mora; Noel Pérez; Ernesto Contreras-Torres; José R Valdes-Martini; Felix Martinez-Rios; Yovani Marrero-Ponce. "Unraveling the hemolytic toxicity tapestry of peptides using chemical space complex networks". Toxicological Sciences (2024): https://doi.org/10.1093/toxsci/kfae115. 10.1093/toxsci/kfae115 Daniela de Llano García; Yovani Marrero-Ponce; Guillermin Agüero-Chapin; Francesc J. Ferri; Agostinho Antunes; Felix Martinez-Rios; Hortensia Rodríguez. "Innovative Alignment-Based Method for Antiviral Peptide Prediction". Antibiotics (2024): https://doi.org/10.3390/antibiotics13080768. 10.3390/antibiotics13080768 Castillo-Mendieta, Kevin; Agüero-Chapin, G; Marquez, Edgar; Perez-Castillo, Yunierkis; Barigye, Stephen J.; Pérez-Cárdenas, Mariela; Peréz-Giménez, Facundo; Marrero-Ponce, Yovani. Corresponding author: Agüero-Chapin, G. "Multiquery Similarity Searching Models: An Alternative Approach for Predicting Hemolytic Activity from Peptide Sequence". Chemical Research in Toxicology 37 4 (2024): 580-589. http://dx.doi.org/10.1021/acs.chemrestox.3c00408. 10.1021/acs.chemrestox.3c00408 Mora, Jose R.; Marquez, Edgar A.; Pérez-Pérez, Noel; Contreras-Torres, Ernesto; Perez-Castillo, Yunierkis; Agüero-Chapin, G; Martinez-Rios, Felix; Marrero-Ponce, Yovani; Barigye, Stephen J.. "Rethinking the applicability domain analysis in QSAR models". Journal of Computer-Aided Molecular Design 38 1 (2024): http://dx.doi.org/10.1007/s10822-024-00550-8. 10.1007/s10822-024-00550-8 Mateo S. Andino; José R. Mora; José L. Paz; Edgar A. Márquez; Yunierkis Perez-Castillo; Guillermin Agüero-Chapin. "Elucidating the Racemization Mechanism of Aliphatic and Aromatic Amino Acids by In Silico Tools". International Journal of Molecular Sciences (2023): https://doi.org/10.3390/ijms241511877. 10.3390/ijms241511877 Guillermin Agüero-Chapin; Agostinho Antunes; Yovani Marrero-Ponce. "A 2022 Update on Computational Approaches to the Discovery and Design of Antimicrobial Peptides". Antibiotics (2023): https://doi.org/10.3390/antibiotics12061011. 10.3390/antibiotics12061011 Guillermin Agüero-Chapin; Agostinho Antunes; José R. Mora; Noel Pérez; Ernesto Contreras-Torres; José R. Valdes-Martini; Felix Martinez-Rios; Cesar H. Zambrano; Yovani Marrero-Ponce. "Complex Networks Analyses of Antibiofilm Peptides: An Emerging Tool for Next-Generation Antimicrobials’ Discovery". Antibiotics (2023): https://doi.org/10.3390/antibiotics12040747. 10.3390/antibiotics12040747 Sebastián Ayala-Ruano; Yovani Marrero-Ponce; Longendri Aguilera-Mendoza; Noel Pérez; Guillermin Agüero-Chapin; Agostinho Antunes; Ana Cristina Aguilar. "Network Science and Group Fusion Similarity-Based Searching to Explore the Chemical Space of Antiparasitic Peptides". ACS Omega (2022): https://doi.org/10.1021/acsomega.2c03398. 10.1021/acsomega.2c03398 Yasser B. Ruiz-Blanco; Guillermin Agüero-Chapin; Sandra Romero-Molina; Agostinho Antunes; Lia-Raluca Olari; Barbara Spellerberg; Jan Münch; Elsa Sanchez-Garcia. "ABP-Finder: A Tool to Identify Antibacterial Peptides and the Gram-Staining Type of Targeted Bacteria". Antibiotics (2022): https://doi.org/10.3390/antibiotics11121708. 10.3390/antibiotics11121708 Contreras-Torres, Ernesto; Marrero-Ponce, Yovani; Terán, Julio E.; Agüero-Chapin, G; Antunes, Agostinho; García-Jacas, César R.. Corresponding author: Marrero-Ponce, Yovani. "Fuzzy spherical truncation-based multi-linear protein descriptors: From their definition to application in structural-related predictions". Frontiers in Chemistry 10 (2022): http://dx.doi.org/10.3389/fchem.2022.959143. Open access • Published • 10.3389/fchem.2022.959143 Guillermin Agüero-Chapin; Deborah Galpert-Cañizares; Dany Domínguez-Pérez; Yovani Marrero-Ponce; Gisselle Pérez-Machado; Marta Teijeira; Agostinho Antunes. "Emerging Computational Approaches for Antimicrobial Peptide Discovery". Antibiotics 11 7 (2022): 936-936. https://doi.org/10.3390/antibiotics11070936. 10.3390/antibiotics11070936 Luis Pablo Avila-Barrientos; Luis Fernando Cofas-Vargas; Guillermin Agüero-Chapin; Enrique Hernández-García; Sergio Ruiz-Carmona; Norma A. Valdez-Cruz; Mauricio Trujillo-Roldán; et al. "Computational Design of Inhibitors Targeting the Catalytic ß Subunit of Escherichia coli FOF1-ATP Synthase". Antibiotics 11 5 (2022): 557-557. https://doi.org/10.3390/antibiotics11050557. 10.3390/antibiotics11050557 Maylin Romero; Yovani Marrero-Ponce; Hortensia Rodríguez; Agüero-Chapin G; Agostinho Antunes; Longendri Aguilera-Mendoza; FELIX MARTINEZ-RIOS. "A Novel Network Science and Similarity-Searching-Based Approach for Discovering Potential Tumor-Homing Peptides from Antimicrobials". Antibiotics (2022): https://www.mdpi.com/2079-6382/11/3/401. 10.3390/antibiotics11030401 Agüero-Chapin, G. "DISTATIS: A Promising Framework to Integrate Distance Matrices in Molecular Phylogenetics.". Current Topics in Medicinal Chemistry (2021): https://doi.org/10.2174/1568026621666210113164605. 10.2174/1568026621666210113164605 Agüero-Chapin, G. "Promising Probiotic Food Supplement Based on Combination of Yeast Beta-Glucan, Bioselenium and Lactoferrin for Animal Health". Biomedical Journal of Scientific & Technical Research (2020): https://biomedres.us/fulltexts/BJSTR.MS.ID.005271.php. 10.26717/BJSTR.2020.32.005271 Daniela Almeida; Dany Domínguez-Pérez; Ana Matos; Guillermin Agüero-Chapin; Yuselis Castaño; Vitor Vasconcelos; Alexandre Campos; Agostinho Antunes. "Data Employed in the Construction of a Composite Protein Database for Proteogenomic Analyses of Cephalopods Salivary Apparatus". Data 5 4 (2020): 110-110. https://doi.org/10.3390/data5040110. 10.3390/data5040110 Agüero-Chapin, G. "Engineering protein fragments via evolutionary and protein-protein interaction algorithms: De novo design of peptide inhibitors for F O F 1 -ATP synthase". FEBS Letters (2020): http://dx.doi.org/10.1002/1873-3468.13988. 10.1002/1873-3468.13988 Daniela Almeida; Dany Domínguez-Pérez; Ana Matos; Guillermin Agüero-Chapin; Hugo Osório; Vitor Vasconcelos; Alexandre Campos; Agostinho Antunes. "Putative Antimicrobial Peptides of the Posterior Salivary Glands from the Cephalopod Octopus vulgaris Revealed by Exploring a Composite Protein Database". Antibiotics 9 11 (2020): 757-757. https://doi.org/10.3390/antibiotics9110757. 10.3390/antibiotics9110757 González Valle, Y; Galpert Cañizares, D.; Molina-Ruiz, Reinaldo; Agüero-Chapin, G. "Integración de rasgos y aprendizaje semi-supervisado para la clasificación funcional de enzimas utilizando K-medias de Spark". Revista Cubana de Ciencias Informáticas 14 4 (2020): 134-161. https://rcci.uci.cu/?journal=rcci&page=article&op=view&path[]=2021&path[]=834. Published Ana Matos; Dany Domínguez-Pérez; Daniela Almeida; Guillermin Agüero-Chapin; Alexandre Campos; Hugo Osório; Vitor Vasconcelos; Agostinho Antunes. "Shotgun Proteomics of Ascidians Tunic Gives New Insights on Host–Microbe Interactions by Revealing Diverse Antimicrobial Peptides". Marine Drugs (2020): https://doi.org/10.3390/md18070362. 10.3390/md18070362 Daniela Sánchez-Soto; Guillermin Agüero-Chapin; Vinicio Armijos-Jaramillo; Yunierkis Perez-Castillo; Eduardo Tejera; Agostinho Antunes; Aminael Sánchez-Rodríguez. "ShadowCaster: Compositional Methods under the Shadow of Phylogenetic Models to Detect Horizontal Gene Transfers in Prokaryotes". Genes (2020): https://doi.org/10.3390/genes11070756. 10.3390/genes11070756 Agüero-Chapin; Galpert; Molina-Ruiz; Ancede-Gallardo; Pérez-Machado; de la Riva; Antunes. "Graph Theory-Based Sequence Descriptors as Remote Homology Predictors". Biomolecules 10 1 (2019): 26. http://dx.doi.org/10.3390/biom10010026. 10.3390/biom10010026 de la Riva, G.A; Mendoza, F.L; Agüero-Chapin, G. "Known Hepatoprotectors Act as Antioxidants and Immune Stimulators in Stressed Mice. Perspectives in Animal Health Care". Current Pharmaceutical Design 25 (2019): http://dx.doi.org/10.2174/1381612825666190116151628. 10.2174/1381612825666190116151628 Domínguez-Pérez, D; Durban, J; Agüero-Chapin, G; López, J.T; Molina-Ruiz, R; Almeida, D; Calvete, J. J; Vasconcelos, Vítor; Antunes, A. "The Harderian gland transcriptomes of Caraiba andreae, Cubophis cantherigerus and Tretanorhinus variabilis, three colubroid snakes from Cuba". Genomics (2018): http://dx.doi.org/10.1016/j.ygeno.2018.11.026. Open access • Published • 10.1016/j.ygeno.2018.11.026 Deborah Galpert; Alberto Fernández; Francisco Herrera; Agostinho Antunes; Reinaldo Molina-Ruiz; Guillermin Agüero-Chapin. "Surveying alignment-free features for Ortholog detection in related yeast proteomes by using supervised big data classifiers". BMC Bioinformatics (2018): https://doi.org/10.1186/s12859-018-2148-8. 10.1186/s12859-018-2148-8 Ruiz-Blanco, Y.B; Agüero-Chapin, G; García-Hernández, E; Álvarez, O; Antunes, A; Green, J. "Exploring general-purpose protein features for distinguishing enzymes and non-enzymes within the twilight zone". BMC Bioinformatics 18 1 (2017): https://doi.org/10.1186/s12859-017-1758-x. 10.1186/s12859-017-1758-x Colli Mull, J. G; de la Riva, G.A; Vargas Samano, C.D; Perez Machado, G; Agüero-Chapin, G. "Plant Growth Promoting Bacteria Isolated From a Mexican Natural Ecosystem Induce Water Stress Resistance in Maize and Sorghum Plants". Journal of Microbial & Biochemical Technology 9 5 (2017): http://dx.doi.org/10.4172/1948-5948.1000367. 10.4172/1948-5948.1000367 Agüero-Chapin, G. "Métodos grafo-numéricos de relevancia para la bioinformática. Aplicaciones en la biotecnología vegetal y en el descubrimiento de fármacos.". Anales de la Academia de Ciencias de Cuba 69 2 (2017): http://www.revistaccuba.cu/index.php/revacc/article/view/263/0. Published Agüero-Chapin, G; Pérez-Machado, G; Colli Mull, J. G; Ancede-Gallardo, E; Antunes, A; de la Riva, G.A. "How the Protein Architecture of RNases III Influences their Substrate Specificity?". Current Pharmaceutical Design 22 33 (2016): 5065-5071. http://dx.doi.org/10.2174/1381612822666160511150416. 10.2174/1381612822666160511150416 Diaz-Garcia, C; Agüero-Chapin, G; Antunes, A; Vasconcelos, V. "Editorial (Thematic Issue: Biological Toxins and Medicinal Chemistry: Research and Therapeutic Tools)". Current Topics in Medicinal Chemistry 15 7 (2015): 580-580. http://dx.doi.org/10.2174/1568026615666150217110223. Published • 10.2174/1568026615666150217110223 • Editor Galpert, D; del Río, S ; Herrera, F; Ancede-Gallardo, E; Antunes, A; Agüero-Chapin, G. "An Effective Big Data Supervised Imbalanced Classification Approach for Ortholog Detection in Related Yeast Species". BioMed Research International 2015 (2015): 1-12. http://dx.doi.org/10.1155/2015/748681. Open access • 10.1155/2015/748681 de la Riva, G.A; Mull-Collí, J; Ramón-Quiroz, R; García-Ramírez, L; Agüero-Chapin, G. "A Bacterial Strain that Affects Lifecycle of Whiteflies (Bemisia tabaci G, Hemiptera: Aleyrodidae) Isolated from the Charco Azul, Xichú, Guanajuato (Mexico)". Journal of Pure and Applied Microbiology 8 2 (2014): 1031-1042. Published Agüero-Chapin, G; Molina-Ruiz, R; Maldonado, E; de la Riva, G; Sánchez-Rodríguez, A; Vasconcelos, V; Antunes, A. "Exploring the Adenylation Domain Repertoire of Nonribosomal Peptide Synthetases Using an Ensemble of Sequence-Search Methods". PLoS ONE 8 7 (2013): e65926. http://dx.doi.org/10.1371/journal.pone.0065926. 10.1371/journal.pone.0065926 Chapin, Guillermin Agüero. "A graphical and numerical approach for functional annotation and phylogenetic inference". Universidade do Porto (Portugal) (2013): https://publons.com/wos-op/publon/17638569/. Agüero-Chapin, G; Sánchez-Rodríguez, A; Hidalgo-Yanes, P.I.; Pérez-Castillo, Y; Molina-Ruiz, R; Marchal, K; Vasconcelos, V; Antunes, A. "An Alignment-Free Approach for Eukaryotic ITS2 Annotation and Phylogenetic Inference". PLoS ONE 6 10 (2011): e26638. http://dx.doi.org/10.1371/journal.pone.0026638. 10.1371/journal.pone.0026638 Agüero-Chapin, G; de la Riva, G.A; Molina-Ruiz, R; Sánchez-Rodríguez, A; Pérez-Machado, G; Vasconcelos, Vítor; Antunes, A. "Non-linear models based on simple topological indices to identify RNase III protein members". Journal of Theoretical Biology 273 1 (2011): 167-178. http://dx.doi.org/10.1016/j.jtbi.2010.12.019. Published • 10.1016/j.jtbi.2010.12.019 Agüero-Chapin, G; Pérez-Machado, G; Molina-Ruiz, R; Pérez-Castillo, Y; Morales-Helguera, A; Vasconcelos, V; Antunes, A. "TI2BioP: Topological Indices to BioPolymers. Its practical use to unravel cryptic bacteriocin-like domains". Amino Acids 40 2 (2010): 431-442. http://dx.doi.org/10.1007/s00726-010-0653-9. 10.1007/s00726-010-0653-9 González-Díaz, H; Dea-Ayuela, M.A; Pérez-Montoto, L.G; Prado-Prado, F.J; Agüero-Chapin, G; Bolas-Fernández, F; Vazquez-Padrón, R.I; Ubeira, F. "QSAR for RNases and theoretic–experimental study of molecular diversity on peptide mass fingerprints of a new Leishmania infantum protein". Molecular Diversity 14 2 (2009): 349-369. http://dx.doi.org/10.1007/s11030-009-9178-0. Published • 10.1007/s11030-009-9178-0 Agüero-Chapin, G; Varona-Santos, Javier; de la Riva, G.A; Antunes, A; González-Villa, T; Uriarte, E; González-Díaz, H. "Alignment-Free Prediction of Polygalacturonases with Pseudofolding Topological Indices: Experimental Isolation fromCoffea arabicaand Prediction of a New Sequence". Journal of Proteome Research 8 4 (2009): 2122-2128. http://dx.doi.org/10.1021/pr800867y. Published • 10.1021/pr800867y González-Díaz, H; Cabrera-Pérez, M.A; Agüero-Chapín, G; Cruz-Monteagudo, M; Castañeda-Cancio, N; del Río, M.A; Uriarte, E. "Multi-target QSPR assemble of a Complex Network for the distribution of chemicals to biphasic systems and biological tissues". Chemometrics and Intelligent Laboratory Systems 94 2 (2008): 160-165. http://dx.doi.org/10.1016/j.chemolab.2008.07.006. Published • 10.1016/j.chemolab.2008.07.006 Agüero-Chapín, G; Antunes, A; Ubeira, F.M; Chou, KC; González-Díaz, H. "Comparative Study of Topological Indices of Macro/Supramolecular RNA Complex Networks". Journal of Chemical Information and Modeling 48 11 (2008): 2265-2277. http://dx.doi.org/10.1021/ci8001809. 10.1021/ci8001809 Agüero-Chapín, G; González-Díaz, H; de la Riva, G.A; Rodríguez, E; Sánchez-Rodríguez, A; Podda, G; Vazquez-Padrón, R.I. "MMM-QSAR Recognition of Ribonucleases without Alignment:¿ Comparison with an HMM Model and Isolation from Schizosaccharomyces pombe, Prediction, and Experimental Assay of a New Sequence". Journal of Chemical Information and Modeling 48 2 (2008): 434-448. http://dx.doi.org/10.1021/ci7003225. 10.1021/ci7003225 Cruz-Monteagudo, M; González-Díaz, H; Agüero-Chapín, G; Santana, L; Borges, F; Domínguez, E.R; Podda, G; Uriarte, E. "Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems". Journal of Computational Chemistry 28 11 (2007): 1909-1923. http://dx.doi.org/10.1002/jcc.20730. 10.1002/jcc.20730 González-Díaz, H; Agüero-Chapin, G; Varona, J; Molina, R; Delogu, G; Santana, L; Uriarte, E; Podda, G. "2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function". Journal of Computational Chemistry 28 6 (2007): 1049-1056. http://dx.doi.org/10.1002/jcc.20576. 10.1002/jcc.20576 Agüero-Chapin, G; González-Díaz, H; Molina, R; Varona-Santos, J; Uriarte, E; González-Díaz, Y. "Novel 2D maps and coupling numbers for protein sequences. The first QSAR study of polygalacturonases; isolation and prediction of a novel sequence fromPsidium guajavaL.". FEBS Letters 580 3 (2006): 723-730. http://dx.doi.org/10.1016/j.febslet.2005.12.072. 10.1016/j.febslet.2005.12.072 Agüero-Chapin, G; Fouad Sarrouh, B; Jover de la Prida, J; González Suarez, E. "Estudio de la hidrólisis del bagazo con ácido sulfúrico concentrado utilizando dos variantes de una sola etapa y una sola etapa modificada para la obtención de etanol y análisis técnico-económico de dicho proceso". Revista Cubana de Química 18 1 (2006): 95. https://www.redalyc.org/pdf/4435/443543688040.pdf. González-Díaz, H; Agüero-Chapin, G; Cabrera, M.A; Molina, R; Santana, L; Uriarte, E; Delogu, G; Castañedo, N. "Unified Markov thermodynamics based on stochastic forms to classify drugs considering molecular structure, partition system, and biological species:". Bioorganic & Medicinal Chemistry Letters 15 3 (2005): 551-557. http://dx.doi.org/10.1016/j.bmcl.2004.11.059. 10.1016/j.bmcl.2004.11.059 Fouad Sarrouh, B; Agüero-Chapin, G; Jover de la Prida, J; González Suarez, E. "Estudio de la hidrólisis del bagazo con ácido sulfúrico concentrado para la obtención de etanol". Centro Azúcar 32 2 (2005): 39-42. http://centroazucar.uclv.edu.cu/media/articulos/PDF/2009/4/6.pdf. Mesa Garriga, L; González Suarez, E; González Cortés, M; Agüero-Chapin, G. "La producción de etanol: alternativas de materias primas". Revista Cubana de Química 17 1 (2005): 129-137. https://www.redalyc.org/pdf/4435/443543685055.pdf. Vazquez-Padrón, R.I; de la Riva, G.A; Agüero, Guillermin; Silva, Yussun; Pham, Si.M; Soberón, M; Bravo, A; Abdelouahab, A. "Cryptic endotoxic nature of Bacillus thuringiensis Cry1Ab insecticidal crystal protein". FEBS Letters 570 1-3 (2004): 30-36. http://dx.doi.org/10.1016/j.febslet.2004.06.021. 10.1016/j.febslet.2004.06.021 Agüero-Chapin, G; Jover de la Prida, J; Mesa Garriga, L; González Suarez, E. "Avances en la producción de bioetanol a partir de residuos lignocelulósicos.". Centro Azúcar 31 4 (2004): 28-30. http://centroazucar.uclv.edu.cu/media/articulos/PDF/2009/4/6.pdf. Mesa Garriga, L; Agüero-Chapin, G; González Suarez, E. "Obtención de coproductos a partir de residuos de tecnologías utilizadas para obtener biocombustibles.". Centro Azúcar 31 3 (2004): 38-40. http://centroazucar.uclv.edu.cu/media/articulos/PDF/2009/4/6.pdf. Agüero-Chapin, G; Rodríguez, E; Díaz, L; Bacallao, N; Jiménez, Elio. "Aislamiento de un fragmento del ADNc ACC Oxidasa expresado durante la maduración del fruto de Guayaba Enana". Biotecnología Vegetal 3 2 (2003): 187-189. https://revista.ibp.co.cu/index.php/BV/article/view/259/868. Published Mas, L; Agüero-Chapin, G; Gil, V; Reyes, M; Gómez Kosky, R; Ocaña, Bárbara; Martínez, S. "Optimización de parámetros en la transformación de embriones somáticos de banano utilizando pistola de genes". Revista Biotecnología Vegetal 1 (2000): 51-54. https://biblat.unam.mx/es/revista/biotecnologia-vegetal/articulo/optimizacion-de-parametros-en-la-transformacion-de-embriones-somaticos-de-banano-utilizando-pistola-de-genes.
Preprint	Dany Domínguez-Pérez; Guillermin Agüero-Chapin; Serena Leone; Maria Vittoria Modica. "SeqLengthPlot: An easy-to-use Python-based Tool for Visualizing and Retrieving Sequence Lengths from fasta files with a Tunable Splitting Point". 2024. https://doi.org/10.1101/2024.06.07.597948. 10.1101/2024.06.07.597948 Daniela De Llano García; Yovani Marrero-Ponce; Guillermin Agüero-Chapin; Francesc J. Ferri; Agostinho Antunes; Felix Martinez-Rios; Hortensia María Rodríguez-Cabrera. "Innovative Alignment-Based Method for Antiviral Peptide Prediction". 2024. https://doi.org/10.20944/preprints202407.1476.v1. 10.20944/preprints202407.1476.v1 Guillermin Agüero-Chapin; Agostinho Antunes; José R. Mora; Noel Pérez; Ernesto Contreras-Torres; José R. Valdes-Martini; Felix Martinez-Rios; Cesar H. Zambrano; Yovani Marrero-Ponce. "Complex Networks Analyses of Antibiofilm Peptides: An Emerging Tool for Next Generation Antimicrobials Discovery". 2023. https://doi.org/10.20944/preprints202303.0193.v1. 10.20944/preprints202303.0193.v1 Kevin Castillo-Mendieta; Guillermin Agüero-Chapin; Nelson Santiago Vispo; Edgar A. Márquez; Yunierkis Perez-Castillo; Stephen J. Barigye; Yovani Marrero-Ponce. "Peptide Hemolytic Activity Analysis using Visual Data Mining of Similarity-based Complex Networks". 2023. https://doi.org/10.20944/preprints202303.0322.v1. 10.20944/preprints202303.0322.v1 Castillo-Mendieta, Kevin; Agüero-Chapin, G; Marquez, Edgar A.; Perez-Castillo, Yunierkis; Barigye, Stephen J.; Pérez-Cárdenas, Mariela; Peréz-Giménez, Facundo; Marrero-Ponce, Yovani. Corresponding author: Marrero-Ponce, Yovani. "A New Robust Method for Predicting Hemolytic Toxicity from Peptide Se-quence". 2023. http://dx.doi.org/10.26434/chemrxiv-2023-1zqzf. 10.26434/chemrxiv-2023-1zqzf Guillermin Agüero-Chapin; Dany Domínguez-Pérez; Yovani Marrero-Ponce; Kevin Castillo-Mendieta; Agostinho Antunes. "Unveiling Encrypted Antimicrobial Peptides from Cephalopods' Salivary Glands: A Proteolysis-Driven Virtual Approach". 2023. https://doi.org/10.26434/chemrxiv-2023-rqqqb. 10.26434/chemrxiv-2023-rqqqb Ayala-Ruano, Sebastián; Marrero-Ponce, Yovani; Aguilera-Mendoza, Longendri; Pérez, Noel; Agüero-Chapin, Guillermin; Antunes, Agostinho; Aguilar, Ana Cristina. "Exploring the Chemical Space of Antiparasitic Peptides and Discovery of New Promising Leads through a Novel Approach based on Network Science and Similarity Searching". 2022. http://dx.doi.org/10.26434/chemrxiv-2021-tgv69-v2. 10.26434/chemrxiv-2021-tgv69-v2 Maylin Romero; Yovani Marrero-Ponce; Hortensia Rodríguez; Guillermin Agüero-Chapin; Agostinho Antunes; Longendri Aguilera-Mendoza; Felix Martinez-Rios. "A Novel Network Science and Similarity Searching-Based Approach for Discovering Potential Tumor Homing Peptides from Antimicrobials". 2022. https://doi.org/10.20944/preprints202202.0046.v1. 10.20944/preprints202202.0046.v1
Thesis / Dissertation	Chapin, Guillermin. "A Graphical and Numerical Approach for Functional Annotation and Phylogenetic Inference". PhD, Universidade do Porto Faculdade de Ciências, 2013. https://repositorio-aberto.up.pt/bitstream/10216/69300/2/24615.pdf.

Other

Other output

SeqLengthPlot v2.0: An All-in-One, Easy-to-Use Tool for Visualizing and Retrieving Se-quence Lengths from FASTA Files. 2024. Dany Domínguez Pérez; Guillermin Agüero-Chapin; Serena Leone; Maria Vittoria Modica. https://doi.org/10.1093/bioadv/vbae183.
10.1093/bioadv/vbae183
Sequence Diversity Analysis - SeqDivA version 1.0 (software). SeqDivA is a python-based tool with a friendly GUI designed for Linux and Mac OS. It runs alignment algorithms (water, needle, and blast) to compare all-vs.-all protein, DNA, and RNA sequences.. 2019. Ancede-Gallardo, E; Agüero-Chapin, G. https://github.com/eancedeg/SeqDivA.
ShadowCaster: compositional methods under the shadow of phylogenetic models for the detection of horizontal gene transfer events in prokaryotes (Software).. ShadowCaster is a hybrid approach that sequentially combines a parametric method that incorporates two types of compositional features (k-mers and codon usage) under the shadow of an implicit phylogenetic model built on the basis that the number of orthologs shared between two species is a proxy of the phylogenetic distance.. 2019. Agüero-Chapin, G; Sánchez-Rodríguez, A. http://dx.doi.org/10.1101/684704.
10.1101/684704
Sequencevectorization Phylogenetic Analysis (SVPhylA 2.0) - Software. SVPhylA is a python tool for the calculation of several alignment-free distances for phylogenetics analysis from the most popular alignment-free approaches. Such alignment-free distances are combined into a consensus/compromise matrix by usingalgorithms like DISTATIS based on Multidimensional Scaling (MSD), LinealPrincipal Component Analysis (PCA) and PCA-Kernel (non-lineal).. 2019. Molina-Ruiz, Reinaldo; Agüero-Chapin, G; Sánchez-Rodríguez, A. https://sourceforge.net/projects/svphyla/.
BigD_ProtDescriptors 2.0 (Big Data for Protein Descriptors Calculations) - Software. This sofware is written on the Big Data PySpark platform for the massive calculation of alignment-free protein descriptors and pairwise similarity/distance metrics.. 2019. Molina-Ruiz, Reinaldo; Galpert Cañizares, D; Agüero-Chapin, G. Not public available until publication.
Software: TI2BioP (Topological indices tobiopolymers) version 3.0 (latest). TI2BioP software allows mainly the calculation oftopological indices (spectral moments) derived from inferred and artificial 2Dstructures of DNA, RNA and proteins being possible to carry out a structure-function correlation irrespective of sequence alignments. TI2BioP version 3.0 is a python platform with a graphical interface designed for Linux OS. https://sourceforge.net/projects/ti2biop/.. 2019. Molina-Ruiz, Reinaldo; Agüero-Chapin, G. https://sourceforge.net/projects/ti2biop/.
Software: Sequence vectorization Phylogenetic Analysis (SVPhylA 2.0). SVPhylA is a python tool for the calculation of several alignment-free distances for phylogenetics analysis from the most popular alignment-free approaches. Such alignment-free distances are combined into a consensus/compromise matrix by using algorithms like DISTATIS based on Multidimensional Scaling (MSD), Lineal Principal Component Analysis (PCA) and PCA-Kernel (non-lineal).. 2019. Molina-Ruiz, Reinaldo; Agüero-Chapin, G. https://sourceforge.net/projects/svphyla/.
Software: BigD_ProtDescriptors 2.0 (Big Data for Protein Descriptors Calculations). This sofware is written on the Big Data PySpark platform for the massive calculation of alignment-free protein descriptors. 2019. Molina-Ruiz, Reinaldo; Agüero-Chapin, G.
TI2BioP (Topological indices to biopolymers) version 2.1 - Software. TI2BioP software allows mainly the calculation of topological indices (spectral moments) derived from inferred and artificial 2D structures of DNA, RNA and proteins being possible to carry out a structure-function correlation irrespective of sequence alignments. TI2BioP version 2.1 is a python platform with a graphical interface designed for Linux OS.. 2017. Molina-Ruiz, R; Agüero-Chapin, G; Pérez González, M. https://sourceforge.net/projects/ti2biop/.

Activities

Oral presentation

	Presentation title	Event name Host (Event location)
2023/05/17	Webinar: Integration of Artificial Intelligence-based Tools into Biodiscovery of AMPs with Antibiotic Potential from Cephalopods.	Seminars of Advanced Studies on Molecular Design and Bioinformatics. Universidad San Francisco de Quito (Quito, Ecuador)
2022/05	Hands-on training sessions for undergraduate students from the University of Porto (Portugal) and the Universidad San Francisco de Quito and Yachay Tech University in Ecuador. Training focused on equipping students with essential skills in utilising bioinformatics tools for sequence analyses.	Seminars of Advanced Studies on Molecular Design and Bioinformatics. (Porto, Portugal)
2019/09	BigDataProtDescriptors, pHCode: High Performance Computer and Spark paradigm in the efficient manipulation of biomolecules.	SIGESTIC’ 2019 BioCubaFarma (Varadero, Cuba)
2015/10/27	Evaluación de algoritmos supervisados y no supervisados de detección de genes ortólogos manejando el desbalance de los datos.	XIII Congreso Nacional de Reconocimiento de Patrones (RECPAT 2015) (Santiago de Cuba, Cuba)
2013/06/06	A Computational Chemistry Approach for ITS2 Annotation and Phylogenetic Inference.	V International Symposium on Chemistry Universidad Central de Las Villas - Sociedad Cubana de Química (Santa Clara, Cuba)
2013/03/19	An alignment-free approach for eukaryotic ITS2 annotation and phylogenetic inference	International Work-Conference on Bioinformatics and Biomedical Engineering (IWBBIO) IEEE (Granada, Spain)
2013/03/14	An alignment-free approach for eukaryotic ITS2 annotation and phylogenetic inference	ISCB Africa ASBCB Conference on Bioinformatics (2013) African Society for Bioinformatics and Computational Biology (Casablanca, Morocco)
2013/02/20	TI2BioP: Topological Indices to Biopolymers. Its practical use to unravel cryptic bacteriocin-like domains.	2nd BioSyst. EU (2013) Federation of European Biological Systematic Societies (Vienna, Austria)
2011/07	Alignment-free Models supported on the TI2BioP methodology to Identify RNase III Protein Members.	8th Seminars of Advanced Studies on Molecular Design and Bioinformatics. Universidad de La Habana (Havana, Cuba)
2011/05	Péptidos No ribosomales y sus sintetasa: genes y productos	1er Congreso Multidisciplinario de las Ingenierías (Morelia, Mexico)

Supervision

	Thesis Title Role	Degree Subject (Type) Institution / Organization
2022 - Current	Sea venoms: molecular and ecological innovations of cnidarians and mollusks Co-supervisor of Alexandre Abreu Barroso	Biologia (PhD) Universidade do Porto Faculdade de Ciências, Portugal
2021/09 - Current	Protein Structural Classes Identification with AI Combining Alignment-based and Alignment-free Protein Features Co-supervisor	Computational Intelligence (PhD) Universidad de Granada Departamento de Ciencias de la Computación e Inteligencia Artificial, Spain
2022/10 - 2023/06	In Silico Discovery of Hemolytic Peptides Through a Novel Approach Based on Network Science and Similarity Searching Methods. Supervisor of Kevin Castillo Mendieta	Bachelor in Biology Sciences (Degree) Yachay Tech University, Ecuador
2019/09/01 - 2021/11/09	Functional classification of enzymes using semi-supervised learning and Apache Spark Co-supervisor	Master in Computer Science (Master) Universidad Central Marta Abreu de las Villas Facultad de Matemática Física y Computación, Cuba
2014/01 - 2016/07	Contribuciones al enfoque de comparación par a par en la detección de genes ortologos. Co-supervisor	Ciencias Técnicas (PhD) Universidad Central Marta Abreu de las Villas, Cuba
2011/09 - 2012/07	Caracterización de secuencias de ADN y proteínas a través del cálculo de los momentos espectrales Supervisor of Antonio Bouza Pérez	Licenciatura en Ciencia de la Computación (Degree) Universidad Central Marta Abreu de las Villas, Cuba
2009/09 - 2010/07	Desarrollo y Aplicación de la metodología TI2BioP a la identificación de proteínas tipo bacteriocinas Supervisor of Maylín Rodríguez Pérez	General Biochemistry (Master) Instituto Superior de Ciencias Médicas de Villa Clara Dr Serafín Ruíz Facultad de Estomatologia de Villa Clara, Cuba
2004/10 - 2005/07	Estudio de alternativas para la obtención de bioetanol a partir de bagazo de caña. Co-supervisor of Naudys Garcia Navarro	Ingeniería Química (Degree) Universidad Central Marta Abreu de las Villas, Cuba

Event organisation

	Event name Type of event (Role)	Institution / Organization
2023/01 - 2023/12	Chairperson of the Session BIOMODE.ECO-08: Biotechnology, Molecular Engineering, Natural Products Development, and Ecology Congress, From Forest to Oceans. Paris, France - Ohio, USA, 2023 . MOL2NET 2023 Conference on Molecular, Biomed, Comput. & Network Science and Engineering, 9th ed. (2023/01 - 2023/12) Conference (Member of the Organising Committee)	Multidisciplinary Digital Publishing Institute AG, Switzerland Ikerbasque, Spain
2022/01 - 2022/12	Chairperson of the Session MODECO-07, Molecular Sciences, Development, Environmental Sustainability, and Economy Congress, From Amazon to Oceans, Paris, France, EPA, USA,, 2022 . MOL2NET 2022, Conference on Molecular, Biomedical & Computational Sciences and Engineering, 8th ed. (2022/01 - 2022/12) Conference (Member of the Organising Committee)	Multidisciplinary Digital Publishing Institute AG, Switzerland Ikerbasque, Spain
2021/01/25 - 2022/01/30	Chairperson of the Session 06 . BIOMEDIT-02; ITCs & Biomol. Biomed. Eng. Works., Lund, Sweden-Chengdu, China-New Orleans, USA, 2021 . MOL2NET 2021, International Conference on Multidisciplinary Sciences, 7th edition. (2021/01/30 - 2022/01/30) Conference (Member of the Organising Committee)	Multidisciplinary Digital Publishing Institute AG, Switzerland
2020/01/30 - 2021/01/30	Session Chair in MOL2NET-06, International Conference on Multidisciplinary Sciences, ISSN: 2624-5078, MDPI SciForum, Basel, Switzerland, 2020 - Session 06. MODECO-05: Molec. Diversity, Energy, & Ecosystems, Puyo, Ecuador-Porto, Portugal-Paris, France, EPA, USA, 2020 (2020/01 - 2021/01) Conference (Member of the Organising Committee)	Multidisciplinary Digital Publishing Institute AG, Switzerland

Event participation

	Activity description Type of event	Event name Institution / Organization
2024/09 - Current	Blue Think Conference (Porto, CIIMAR-2024). In silico proteolysis approach to uncover the repertoire of antimicrobial peptides from Cnidaria. Alexandre Barroso, Guillermin Agüero-Chapin, Rita Sousa and Agostinho Antunes. Conference	Blue Think Conference 2024 Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal
2024/05 - Current	Investigação Jovem da U.Porto – IJUP (17 ed.) . Virtual proteolysis strategy to explore the repertoire of antimicrobial peptides from Cnidaria. Rita Sousa, Alexandre Barroso, Guillermin Agüero-Chapin and Agostinho Antunes. Conference	Investigação Jovem da U.Porto – IJUP (17 ed.) Universidade do Porto Faculdade de Ciências, Portugal
2024/03/20 - 2024/03/22	Poster Presentation "In Silico Discovery of Hemolytic Peptides Through a Novel Approach Based on Network Science and Similarity Searching Methods" Conference	The 1st International Electronic Conference on Toxics Multidisciplinary Digital Publishing Institute AG, Switzerland
2020/09/17 - 2020/09/17	Blue Think Conference (Porto, CIIMAR-2020). Three Ascidians Tunic from a Metaproteomic Perspective. Ana Matos, Dany Domínguez-Pérez, Daniela Almeida, Guillermin Agüero-Chapin, Alexandre Campos, Hugo Osório, Vitor Vasconcelos and Agostinho Antunes Conference	Blue Think Conference - FIRST CIIMAR STUDENTS' MEETING (BTC-2020) Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal
2018/09/09 - 2018/09/12	From Metabarcoding to Metagenomics: Unraveling the evolutionary genomics of host-microbe interactions and search for potential secondary metabolites (Poster). Authors: Anoop Alex, Guillermin Agüero Chapin, Agostinho Antunes. Congress	31st Congress ESPB -European Society for Comparative Physiology & Biochemistry Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal
2018/06 - 2018/08/01	Surveying Alignment-free Features for Ortholog Detection in Related Yeast Proteomes by using Supervised Big Data Classifiers (doi: 10.3390/mol2net-04-05468; Conference Paper). Authors: Deborah Galpert Cañizares; Alberto Fernández; Francisco Herrera; Agostinho Antunes; Reinaldo Molina Ruiz; Guillermin Agüero-Chapin. Conference	Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Ikerbasque, Spain Multidisciplinary Digital Publishing Institute AG, Switzerland Universidad del País Vasco Facultad de Ciencia y Tecnología, Spain
2016/09/18 - 2016/09/23	Exploring the toxin expression in the Harderian gland’s transcriptome of three Cuban snakes (Colubroidea) (Poster) Authors: Dany Domínguez-Pérez, Jordi Durban, Guillermin Agüero-Chapin, Javier Torres Lopez, Reinaldo Molina Ruiz, Bruno Reis, Juan Calvete, Vítor Vasconcelos and Agostinho Antunes Congress	XII Congress of the Pan American Section of the International Society on Toxinology International Society on Toxinology, United States
2016/06/07 - 2016/06/10	Topological Indices to Biopolymers (TI2BioP) and Sequence Vectorization for Phylogenetic Analysis (SVPhyLA). Graphical-Numerical tools for Sequence Encoding (Poster) Authors: Reinaldo Molina, Evys Ancede, Guillermin Agüero, Gisselle Pérez, Agostinho Antunes Symposium	VI International Symposium of Chemistry (SIQ 2016) Universidad Central Marta Abreu de las Villas, Cuba Sociedad Cubana de Química, Cuba
2015/12/05 - 2015/12/15	Pairwise Ortholog Detection in Related Yeast Species by Using Big Data Supervised Classifications (doi:10.3390/MOL2NET-1-e002; Conference paper). Authors: Galpert Cañizares, D.; del Río García, S.; Herrera, F.; Ancede Gallardo, E.; Antunes, A.; Agüero-Chapin, G. Conference	Proceedings of MOL2NET 2015, International Conference on Multidisciplinary Sciences Multidisciplinary Digital Publishing Institute AG, Switzerland Universidad del País Vasco Facultad de Ciencia y Tecnología, Spain Ikerbasque, Spain
2015/12/05 - 2015/12/15	TI2BioP: Topological Indices to BioPolymers (doi:10.3390/MOL2NET-1-F011; Conference paper). Authors: Agüero-Chapin, G.; Molina Ruiz, R.; Antunes, A. Conference	Proceedings of MOL2NET 2015, International Conference on Multidisciplinary Sciences Ikerbasque, Spain Multidisciplinary Digital Publishing Institute AG, Switzerland Universidad del País Vasco Facultad de Ciencia y Tecnología, Spain
2015/11/25 - 2015/11/27	Esquema de evaluación de algoritmos supervisados y no supervisados de detección de genes ortólogos en levaduras Saccharomycete manejando el desbalance de los datos. Companioni Brito, C.; Galpert Cañizares, D.; Ancede Gallardo, E.; Antunes, A.; Agüero-Chapin, G. Congress	Congreso Internacional de la Sociedad Cubana de Matemática y Computación Universidad de la Habana, Cuba
2015/06/26 - 2015/06/30	Alignment-free methods for the detection and specificity prediction of Adenylation domains (Poster). Agostinho Antunes, Guillermin Agüero-Chapin, Gisselle Pérez-Machado, Aminael Sánchez-Rodríguez and Miguel Santos. Meeting	Evolution 2015 American Society of Naturalists, United States Society of Systematic Biologists, United States
2014/12/03 - 2014/12/05	Exploring Adenylation Domains Repertoire Of Nonribosomal Peptide Synthetases Using Four-Color Maps (Poster Presentation). Authors: Guillermin Aguero, Reinaldo Molina, Gisselle Perez, Agostinho Antunes Conference	21 Conferencia de Química Universidad de Oriente, Cuba Sociedad Cubana de Química, Cuba
2011/06/12 - 2011/06/15	Alignment-free Models based on the TI2BioP methodology to identify Rnase III protein members (Poster). Guillermin Agüero-Chapin, Gustavo A de la Riva, Reinaldo Molina-Ruiz, Aminael Sánchez-Rodríguez, Gisselle Pérez-Machado, Vítor Vasconcelos and Agostinho Antunes Meeting	2nd Iberic Meeting on Medicinal Chemistry Universidade do Porto, Portugal
2010/10/13 - 2010/10/15	Comparative enzymatic activity of three recombinant RNAse III and effect of bacterial RNAse III expressed in transformed yeasts (Poster). Authors: de la Riva G.A, Agüero–Chapin G, Morales-Aragón JC, Pérez-Machado G, Vasconcelos V and Antunes A Congress	3er Congreso Internacional de Investigación CIPITECH Instituto Tecnológico de Parral, Mexico
2010/09/19 - 2010/09/24	A general QSAR methodology to predict telomerase inhibition by G-quadruplex stabilization (Poster). Authors: Castillo-González Daimel, Perez-Machado Gisselle, Agüero-Chapin Guillermin, Morales-Helguera Aliuska, Teijeira-Bautista Marta, Cabrera-Perez Miguel Angel Symposium	18th European Symp osium on Quantitative Structure–Activity Relationships -EuroQSAR (2010) “Discovery Informatics & Drug Design” (Rhodes, Greece) European Federation for Medicinal Chemistry, Italy
2010/06/01 - 2010/06/04	A QSFR-like model to detect proteinaceous bacteriocins. Its practical application to the discovery of new bacteriocin-like domains (Poster). Authors: Guillermin Agüero-Chapin, Gisselle Pérez-Machado, Reinaldo Molina-Ruiz, Yunierkis Pérez-Castillo, Aliuska Morales-Helguera, Victor Vasconcelos and Agostinho Antunes Symposium	IV International Symposium on Chemistry Universidad Central Marta Abreu de las Villas, Cuba Sociedad Cubana de Química, Cuba
2009/11/09 - 2009/11/13	QSAR study to polymeric sequences embedded in a novel 2D lattice. "Sesión Omica de Plantas." (Poster). Authors: Guillermin Agüero Chapin, Humberto González-Díaz, Gustavo A de La Riva, Gisselle Pérez-Machado, Agostinho Antunes Congress	XIII Congreso Nacional de Bioquímica y Biología Molecular de Plantas Centro de Investigación y de Estudios Avanzados Unidad Irapuato, Mexico
2009/11/02 - 2009/11/05	Telomerase inhibitors by G-quadruplex stabilization: A QSAR approach (Poster). Authors: Daimel Castillo González, Miguel Ángel Cabrera Pérez, Gisselle Pérez Machado, Guillermin Agüero Chapin, Aliuska Morales Helguera Congress	Biotecnología Habana 2009 "Aplicaciones Médicas de la Biotecnología" Centro de Ingenieria Genetica y Biotecnologia, Cuba
2009/07/17 - 2009/07/20	A new approach of the sub-structural analysis toward the design of A1 Adenosine Receptors Agonists (Conference paper). Authors: Marta Teijeria Bautista, Maykel Pérez González, Aliuska Morales Helguera, Guillermin Agüero Chapin, Gisselle Pérez Machado, Carmen Terán Moldes. Meeting	Third Join Italian-German Purine Club Meeting Purinergic Receptors. "New Frontiers for Novel Therapies" Università degli Studi di Camerino, Italy European Federation for Medicinal Chemistry, Italy
2007/06/05 - 2007/06/08	Computacional design of cellulolytics complexes for improving enzymatic hydrolysis in ethanol production (Poster). Authors: Guillermin Agüero Chapin, Humberto González-Díaz, Gustavo A de La Riva, Agostinho Antunes. Symposium	III Simposio Internacional de Química Universidad Central Marta Abreu de las Villas, Cuba Sociedad Cubana de Química, Cuba
2005/12/07 - 2005/12/09	"Study of bagasse hydrolysis using concentrated sulfuric acid for etanol obtaining and technical-economical analysis of this process" (Chemical Engineering Workshop) - "2D RNA-QSAR: assigning ACC oxidase family membership with stochastic molecular descriptors; isolation and prediction of a sequence from Psidium guajava L" (Bioinformatics Workshop) Conference	18 International Conference of Chemistry Universidad de Oriente Departamento de Química, Cuba Sociedad Cubana de Química, Cuba
2004/11/18 - 2004/11/22	"Isolation of a ACC Oxidase cDNA fragment expressed during Dwarf Guava’s (Psidium guajava L) fruit ripening" (Poster). Authors: Guillermin Agüero, Edrey Rodríguez, Lisbet Diaz, Neyda Bacallao y Elio Jiménez "Study of bagasse hydrolysis using concentrated sulfuric acid for etanol obtaining and technical-economical analysis of this process" (Poster). Authors: Guillermin Agüero, Boutros Fouad Sarrouh, Josefina Jover Conference	Vl International Conference of Chemistry and Chemical Engineering - II Simposio Internacional de Bioquímica y Biología Molecular Universidad de la Habana Facultad de Biologia, Cuba
2004/06/14 - 2004/06/18	Study of bagasse hydrolysis using concentrated sulfuric acid for etanol obtaining (Poster). Authors: Boutros Fouad Sarrouh, Guillermin Agüero, Josefina Jover and Erenio González Conference	VIII International Conference on sugar and its derived products “Diversificación 2004” Asociación de Técnicos Azucareros de Cuba, Cuba
2003/06 - 2003/06	"Advances in bioethanol’s production starting from lignocellulosic material" (Poster). Authors: Guillermin Agüero, Josefina Jover, Erenio Suárez "Alternatives for by-products coming from bio-fuel technology obtaining" (Poster). Authors: Leyanis Mesa, Guillermin Agüero, Erenio Suárez Conference	II Conferencia Internacional de Química Universidad Central Marta Abreu de las Villas, Cuba Sociedad Cubana de Química, Cuba
2002/06 - 2002/06	Isolation of a ACC Oxidase cDNA fragment expressed during Dwarf Guava (Psidium guajava L.) fruit ripening (Poster). Authors: Guillermin Agüero, Edrey Rodríguez, Neyda Bacallao and Elio Jiménez Meeting	6th Coloquio Internacional de Biotecnología de las Plantas Universidad Central Marta Abreu de las Villas - Instituto de Biotecnología de las Plantas, Cuba
2001/04/16 - 2001/04/20	Isolation of a ACC Oxidase cDNA fragment expressed during Dwarf Guava ( Psidium guajava L.) fruit ripening (Poster) Congress	Congreso Internacional de Biotecnología de las Plantas, BioVeg 2001 Universidad de Ciego de Avila, Cuba
1999/06/16 - 1999/06/19	"Studies of parameters affecting genetic transformation of banana somatic embryos cv. Gran Enano by gene gun" (Poster) "The inmunopotenciar properties characterization of the Cry 1Ac toxin: possible use of these proteins as adjuvant source in the oral-vaccines preparation" (Poster) Symposium	5to Coloquio Internacional de Biotecnología Vegetal Universidad Central Marta Abreu de las Villas - Instituto de Biotecnología de las Plantas, Cuba

Jury of academic degree

	Topic Role	Candidate name (Type of degree) Institution / Organization
2023/05	Identification of epigenetic mechanisms related to immunosuppression phenomena in sepsis and their use as prognostic biomarkers. Thesis Member	REBECA OSCA VERDEGAL (PhD) Universitat de València Facultat de Medicina i Odontologia, Spain
2022/11	Deep Learning applications over Heterogeneous Networks: from Multimedia to Genes. (Thesis) Arguer	Jesús Fernando Cevallos Moreno (PhD) Dipartimento di Ingegneria Informatica Automatica e Gestionale, SAPIENZA – Università di Roma, Italy
2022/01/20	Use of circulating histones and their post-translational modifications as biomarkers in sepsis and septic shock. Thesis Member	Jesús Beltrán García (PhD) Universitat de València Facultat de Medicina i Odontologia, Spain
2021/11/30	Ecophysiological and transcriptomic response of two intertidal mollusc species to thermal stress (Thesis) Main arguer	Harold Casalís Cantalló (Master) Universidade de Aveiro, Portugal
2015	Development of reductionist energy models applied to the folding of globular proteins and their generalization into protein descriptors. (Thesis) Main arguer	Yasser Ruiz-Blanco (PhD) Universidad Central Marta Abreu de las Villas, Cuba

Association member

	Society Organization name	Role
2024/01 - Current	PagBiOmicS: Personalised Academic Guidance and Biodiscovery-integrated OMICs Solutions (https://www.pagbiomics.com).	Co-Founder
2017 - Current	Ecuatorian Bioinformatics Network	Member
2004 - Current	Cuban Chemistry Society	Member
2002/09 - Current	Cuban Society of Pharmacology	Member

Conference scientific committee

	Conference name	Conference host
2023/01 - 2023/12	NICE.XSM-09: North-Ibero-America Congress on EXperimental & Simulation Methods, Valencia, Bilbao, Spain - Miami, USA, MOL2NET 2023	University of Valencia, Spain; Miami Dade College, USA; Tulane University, USA.
2022/01 - 2022/12	MOL2NET'22, Conference on Molecular, Biomedical & Computational Sciences and Engineering, 8th ed	Multidisciplinary Digital Publication Institute (MDPI)
2020/01/30 - 2021/01/30	Workshop Series on Nanotechnology and Material Sciences (NANOBIOMATJND), Jackson State University (JSU) and North Dakota State University (NDSU), USA	MOL2NET 2020, International Conference on Multidisciplinary Sciences, 6th edition
2020/01/30 - 2021/01/30	USEDAT: USA-Europe Data Analysis Training Program Workshop, UPV/EHU, Bilbao, Basque Country-MDC, Miami, USA, 2020	MOL2NET 2020, International Conference on Multidisciplinary Sciences, 6th edition
2020/01/30 - 2021/01/30	USINEWS-04: US-IN-EU Worldwide Science Workshop Series, UMN, Duluth, USA, 2020	MOL2NET 2020, International Conference on Multidisciplinary Sciences, 6th edition
2020/01/30 - 2021/01/30	BIOMEDIT-01; BioMedical & Information Technologies Worldwide Workshop, Chengdu, China, 2020	MOL2NET 2020, International Conference on Multidisciplinary Sciences, 6th edition
2020 - 2021	IWIMSM-04: Iberoamerican Workshop on Model. and Simulation Methods, Valencia, Spain, 2020	MOL2NET 2020, International Conference on Multidisciplinary Sciences, 6th edition

Course / Discipline taught

	Academic session	Degree Subject (Type)	Institution / Organization
2013 - 2016	Invited Professor in the Master Program Research and Drug Development¿. Subject: Biotechnology Applied to Drug Production.	Research and Drug Development (Master)	Universidad Central Marta Abreu de las Villas - Centro de Bioactivos Químicos, Cuba
2005 - 2008	Professor of Biochemistry in the Chemical Engineering university course	Chemical Engineering (Bachelor)	Universidad Central Marta Abreu de las Villas - CAP/Facultad de Química y Farmacia, Cuba
2003 - 2005	Professor of Biochemistry in the Chemistry university course	Biochemistry (Bachelor)	Universidad Central Marta Abreu de las Villas - CAP/Facultad de Química y Farmacia, Cuba
2002 - 2004	Assistant professor of Microbiology Laboratory in the Chemical Engineering course	Chemical Engineering (University degree) (Bachelor)	Universidad Central Marta Abreu de las Villas - CAP/Facultad de Química y Farmacia, Cuba

Evaluation committee

	Activity description Role	Institution / Organization	Funding entity
2022/08 - Current	Concurso - Bolsas de Iniciação à Investigação (BII) -Verão com Ciência Evaluator	Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Fundação para a Ciência e a Tecnologia
2024/04/19 - 2024/05/06	Jury Member to Assign two Research Grants in the framework of the project: iCulture - A digital bio-platform and co-culture bioprocess to prospect and utilize macroalgae responsibly and sustainably. Horizon Europe (HE-101082010). Evaluator	Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Horizon 2020
2023/08/10 - 2023/08/24	Jury Member to Assign a Research Grant in the framework of the project ¿AFRICoV - Genomic surveillance of SARS-CoV-2(-like) viruses in African bushmeat markets, and perceptions of health risks related to COVID-19 and bushmeat consumption Evaluator	Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Agence nationale de la recherche
2021/07/19 - 2021/08/17	Concurso - Bolsas de Iniciação à Investigação (BII) -Verão com Ciência Evaluator	Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal	Fundação para a Ciência e a Tecnologia

Interview (newspaper / magazine)

	Activity description	Newspaper / Forum
2011/12/15	Agostinho Antunes e Guillermin Aguero-Chapin, do Centro Interdisciplinar de Investigação Marinha e Ambiental, Universidade do Porto, desenvolveram com uma equipa de oito cientistas internacionais uma nova metodologia para o estudo de Biopolímeros. Revista Digital Ciencia Hoje (Fonte: https://biologiaesalv12a.blogspot.com/search?q=Guillermin)	Ciência Hoje/cienciahoje.pt (https://biologiaesalv12a.blogspot.com/search?q=Guillermin)

Journal scientific committee

	Journal title (ISSN)	Publisher
2024/10/04 - Current	Frontiers in Microbiology (Guest Editor) (1664-302X)	Frontiers
2024/09 - Current	Toxins (Guest Editor) (2072-6651)	MDPI
2023/10 - Current	Antibiotics (Guest Editor) (2079-6382)	MDPI
2020/11 - Current	Antibiotics (Topic Board) (2079-6382)	MDPI AG
2020/08 - Current	Marine Drugs (Reviewer Board) (1660-3397)	MDPI AG
2022/11/01 - 2024/11/30	Frontiers in Bioinformatics (Guest Editor) (2673-7647)	Frontiers
2021/09/27 - 2023/12	Antibiotics (Guest Editor) ( 2079-6382)	MDPI
2015 - 2015	Current Topics in Medicinal Chemistry (Guest Editor) (1568-0266)	Bentham Science

Mentoring / Tutoring

	Topic	Student name
2024/06/26 - 2024/07/20	Marine Antimicrobial Peptides: Solutions to Antimicrobial Resistance	Celia Caridad Borges Casas
2023/11 - 2024/06	Virtual Proteolysis Strategy to Explore the Repertoire of Antimicrobial Peptides from Cnidaria	Rita Maria Silva de Sousa
2022/11 - 2023/06	Computer-Aided Search for Next Generation Antibiotics from Cephalopods Salivary Glands Proteomes	Júlia Moreira Trancho

Other jury / evaluation

	Activity description	Institution / Organization
2024/05/02 - 2024/05/27	Evaluator for Canadian Poultry Research Council – Internal Funding Program (2024): Chicken proteins derived antimicrobials to Treat S. enteriditis Infection in Laying Hens..	Canadian Poultry Research Council, Canada Natural Sciences and Engineering Research Council of Canada, Canada
2014 - 2020	Reviewer of the journals - https://publons.com/researcher/1403725/ (1) Current Bioinformatics (2) Chemical Biology and Drug Design (3) Molecular Biosystem (4) Chemometrics and Intelligent Laboratory Systems (5) Amino Acids (6) BMC Bioinformatics (7) Journal of Proteome Research (8) Computational Biology and Chemistry (9) Current Topics in Medicinal Chemistry (10) Journal of Theoretical Biology (11) Scientific Reports (12) Data (13) Computer Methods and Programs in Biomedicine	Springer International Publishing AG, Switzerland Elsevier BV, Netherlands Biomed Central Ltd, United Kingdom American Chemical Society, United States Bentham Science Publishers Ltd, United Arab Emirates John Wiley & Sons Inc, United Kingdom Royal Society of Chemistry, United Kingdom Multidisciplinary Digital Publishing Institute AG, Switzerland Springer Nature, Luxembourg
2019/05 - 2019/05	External Evaluator - Internal Projects of Universidad de Las Américas (Ecuador): Descubrimiento de nuevos estabilizadores del cuarteto-G con actividad antitumoral.	Universidad de Las Américas, Ecuador
2018/11 - 2018/12	External Evaluator of National Projects in Chile: Concurso Nacional de Proyectos FONDECYT (Fondo Nacional de Desarrollo Científico y Tecnológico) Regular 2019.	Comisión Nacional de Investigación Científica y Tecnológica, Chile
2018/05/01 - 2018/05/21	External Evaluator - Internal Projects of Universidad de Las Américas (Ecuador) : Desarrollo e implementación computacional de descriptores moleculares y líneas celulares con su posterior aplicación en diversos problemas biológicos	Universidad de Las Américas, Ecuador
2016/06 - 2016/08	External Evaluator of National Projects in Ecuador: “Formación del Grupo de Integración de Datos Quimio-Genómicos del Ecuador” for the Red Nacional de Investigación y Educacion del Ecuador (REDCEDIA): Call Name: Concurso Ecuatoriano de Proyectos en Redes Avanzadas - CEPRA 2016.	CEDIA, Ecuador

Distinctions

Award

2024	Best Poster Award - The 1st International Electronic Conference on Toxics Multidisciplinary Digital Publishing Institute AG, Switzerland
2018	Annual Regional Award (Coauthor). Combinación de medidas de similitud para la detección escalable de genes ortólogos en especies de levaduras. Ministerio de Ciencia Tecnologia y Medio Ambiente, Cuba
2015	Annual Award of the Cuban Academy of Sciences (Main Author). "Métodos grafo-numéricos de relevancia para la bioinformática. Aplicaciones en la biotecnología vegetal y en el descubrimiento de fármácos" Academia de Ciencias de Cuba, Cuba
2013	Annual Regional Award (Main Author) “Development of a graphical and numerical approach for functional annotation and phylogenetic inference in gene/protein families involved in drug discovery” Ministerio de Ciencia Tecnologia y Medio Ambiente, Cuba
2005	Anual Award of the Cuban Academy of Sciences (Collaborator). "From molecular structure biological activity: Applications and potentialities of novel computational design methods in QSAR, QSPR, QSPkR, QSTR studies, proteomic and bioinformatics" Academia de Ciencias de Cuba, Cuba
2002	Premio Alvaro Reynoso Asociación de Técnicos Azucareros de Cuba, Cuba

Other distinction

2014	Medal of Recognition and Merit for PhD Graduates. Thesis – A Graphical and Numerical Approach for Functional Annotation and Phylogenetic Inference Universidade do Porto Faculdade de Ciências, Portugal
2006	Top-50 most cited article 2005-2008. "Novel 2D maps and coupling numbers for protein sequences. The first QSAR study of polygalacturonases; isolation and prediction of a novel sequence from Psidium guajava L. FEBS Letters 580 (2006)" The Federation of European Biochemical Societies, United Kingdom