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Sara R. R. Campos is a biochemist working in the Biomolecular Simulation field since 2005. She completed a PhD by Instituto de Tecnologia Química e Biológica da Universidade Nova de Lisboa in December 2009. She studies electrostatic effects on protein structure and contributes to the development of methods such as constant-pH molecular dynamics. She has published 22 papers in international peer-reviewed journals.
Identification

Personal identification

Full name
Sara Isabel Rodrigues Rasteiro de Campos

Citation names

  • Campos, Sara R. R.

Author identifiers

Ciência ID
7917-7555-5CFE
ORCID iD
0000-0003-1020-6830

Languages

Language Speaking Reading Writing Listening Peer-review
English
Portuguese (Mother tongue)
Education
Degree Classification
2006/01/01 - 2009/12/21
Concluded
 Doctoral program in chemical and biological sciences (PhD) (Doutoramento)
Major in Biochemistry, Biomolecular Simulation
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
"Study of the effect of pH on the structure and function of peptides and proteins using molecular simulation methods" (THESIS/DISSERTATION)
 Approved, unanimously
2000 - 2004
Concluded
 Biochemistry (Licenciatura)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
"Isolamento de espécies de Legionella a partir de amostras de solos" (THESIS/DISSERTATION)
 16
Affiliation

Science

Category
Host institution 		Employer
2022/02/01 - 2022/05/31 Researcher (Research) Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
2019/01/10 - 2022/01/31 Contracted Researcher (Research) Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
2010/02/15 - 2018/12/31 Postdoc (Research) Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
2005/01/01 - 2005/12/31 Research Trainee (Research) Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal

Others

Category
Host institution 		Employer
2006/01/01 - 2009/12/21 PhD student Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Projects

Grant

Designation Funders
2006/01/01 - 2009/12/31 Study of the effect of pH on the structure and function of peptides and proteins using molecular simulation methods
SFRH/BD/23506/2005
PhD Student Fellow
Fundação para a Ciência e a Tecnologia
Concluded

Other

Designation Funders
2018/10/01 - 2022/01/31 Modelling pH effects on beta-lactoglobulin using state-of-the-art constant-pH molecular dynamics
PTDC/QUI-OUT/29441/2017
Principal investigator
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
2014/09/01 - 2015/12/31 Increasing the realism of membrane modelling in constant-pH molecular dynamics methods: inclusion of electrochemical gradients and lipid titration
info:eu-repo/grantAgreement/FCT/3599-PPCDT/126847/PT
Post-doc Fellow
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
2014/03/01 - 2014/08/31 Proton transfer and proton pumping in haem-copper oxidases. Methodological developments and their application to unravel the molecular mechanism.
info:eu-repo/grantAgreement/FCT/3599-PPCDT/113446/PT
Post-doc Fellow
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
2013/07/01 - 2014/02/28 Increasing the realism of membrane modelling in constant-pH molecular dynamics methods: inclusion of electrochemical gradients and lipid titration
info:eu-repo/grantAgreement/FCT/3599-PPCDT/126847/PT
Post-doc Fellow
Fundação para a Ciência e a Tecnologia
Concluded
2013/04/01 - 2013/06/30 Understanding structure-activity relationships in peptide dendrimers using a molecular modelling approach
info:eu-repo/grantAgreement/FCT/3599-PPCDT/100416/PT
Post-doc Fellow
Fundação para a Ciência e a Tecnologia
Concluded
2010/02/15 - 2013/03/31 Study of pH-dependent protein misfolding using state-of-the-art molecular modeling methods
info:eu-repo/grantAgreement/FCT/3599-PPCDT/105238/PT
Post-doc Fellow
Fundação para a Ciência e a Tecnologia
Concluded
2006/01/01 - 2007/11/14 Increasing realism in protein modelling: including pH and redox effects into molecular dynamics simulations
info:eu-repo/grantAgreement/FCT/POCI/45810/PT
Other
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
2005/01/01 - 2005/12/31 Increasing realism in protein modelling: including pH and redox effects into molecular dynamics simulations
info:eu-repo/grantAgreement/FCT/POCI/45810/PT
Research Fellow
Fundação para a Ciência e a Tecnologia
Concluded
Outputs

Publications

Conference poster
  1. Campos, Sara R. R.; Catarina Grazina; Ana S. F. Oliveira; Pedro R. Magalhães; António M. Baptista. "The membrane electrochemical potential in Poisson– Boltzmann/Monte Carlo approaches". Paper presented in Protein Electrostatics 2018, 2018.
  2. Campos, Sara R. R.; Olga Iranzo; António M. Baptista. "Portraying the protonation behavior of close titrating sites in four peptidic scaffolds using constant- pH MD". Paper presented in Protein Electrostatics Berlin 2016, 2016.
Journal article
  1. Lucie da Rocha; António M. Baptista; Sara R. R. Campos. "Computational Study of the pH-Dependent Ionic Environment around ß-Lactoglobulin". The Journal of Physical Chemistry B (2022): https://doi.org/10.1021/acs.jpcb.2c03797.
    10.1021/acs.jpcb.2c03797
  2. António M. Baptista; Lucie da Rocha; Sara R. R. Campos. "FixBox: A General Algorithm to Fix Molecular Systems in Periodic Boxes". Journal of Chemical Information and Modeling (2022): https://doi.org/10.1021/acs.jcim.2c00823.
    10.1021/acs.jcim.2c00823
  3. Lucie da Rocha; António M. Baptista; Sara R. R. Campos. "Approach to Study pH-Dependent Protein Association Using Constant-pH Molecular Dynamics: Application to the Dimerization of ß-Lactoglobulin". Journal of Chemical Theory and Computation (2022): https://doi.org/10.1021/acs.jctc.1c01187.
    10.1021/acs.jctc.1c01187
  4. Lousa, Diana; Pinto, Antónia R. T.; Campos, Sara R. R.; Baptista, António M.; Veiga, Ana S.; Castanho, Miguel A. R. B.; Soares, Cláudio M.. "Effect of pH on the influenza fusion peptide properties unveiled by constant-pH molecular dynamics simulations combined with experiment". Scientific Reports 10 1 (2020): http://dx.doi.org/10.1038/s41598-020-77040-y.
    Published • 10.1038/s41598-020-77040-y
  5. Nicoletta Liguori; Sara R. R. Campos; António M. Baptista; Roberta Croce. "Molecular Anatomy of Plant Photoprotective Switches: The Sensitivity of PsbS to the Environment, Residue by Residue". The Journal of Physical Chemistry Letters (2019): 1737-1742. https://doi.org/10.1021/acs.jpclett.9b00437.
    10.1021/acs.jpclett.9b00437
  6. Pedro B. P. S. Reis; Diogo Vila-Viçosa; Sara R. R. Campos; António M. Baptista; Miguel Machuqueiro. "Role of Counterions in Constant-pH Molecular Dynamics Simulations of PAMAM Dendrimers". ACS Omega 3 2 (2018): 2001-2009. https://doi.org/10.1021%2Facsomega.7b01708.
    Published • 10.1021/acsomega.7b01708
  7. Magalhães, P.R.; Oliveira, A.S.F.; Campos, S.R.R.; Soares, C.M.; Baptista, A.M.. "Effect of a pH Gradient on the Protonation States of Cytochrome c Oxidase: A Continuum Electrostatics Study". Journal of Chemical Information and Modeling 57 2 (2017): 256-266. http://www.scopus.com/inward/record.url?eid=2-s2.0-85014290827&partnerID=MN8TOARS.
    10.1021/acs.jcim.6b00575
  8. Oliveira, A.S.F.; Campos, S.R.R.; Baptista, A.M.; Soares, C.M.. "Coupling between protonation and conformation in cytochrome c oxidase: Insights from constant-pH MD simulations". Biochimica et Biophysica Acta - Bioenergetics 1857 6 (2016): 759-771. http://www.scopus.com/inward/record.url?eid=2-s2.0-84964689558&partnerID=MN8TOARS.
    10.1016/j.bbabio.2016.03.024
  9. de Barros, D.P.C.; Campos, S.R.R.; Azevedo, A.M.; Baptista, A.M.; Aires-Barros, M.R.. "Predicting protein partition coefficients in aqueous two phase system". Journal of Chromatography A 1470 (2016): 50-58. http://www.scopus.com/inward/record.url?eid=2-s2.0-84995380022&partnerID=MN8TOARS.
    10.1016/j.chroma.2016.09.072
  10. Campos, S.R.R.; Iranzo, O.; Baptista, A.M.. "Constant-pH MD Simulations Portray the Protonation and Structural Behavior of Four Decapeptides Designed to Coordinate Cu2+". Journal of Physical Chemistry B 120 6 (2016): 1080-1091. http://www.scopus.com/inward/record.url?eid=2-s2.0-84959440690&partnerID=MN8TOARS.
    10.1021/acs.jpcb.5b12052
  11. Conceição, K.; Magalhães, P.R.; Campos, S.R.R.; Domingues, M.M.; Ramu, V.G.; Michalek, M.; Bertani, P.; et al. "The anti-inflammatory action of the analgesic kyotorphin neuropeptide derivatives: Insights of a lipid-mediated mechanism". Amino Acids 48 1 (2016): 307-318. http://www.scopus.com/inward/record.url?eid=2-s2.0-84955207969&partnerID=MN8TOARS.
    10.1007/s00726-015-2088-9
  12. Filipe, L.C.S.; Campos, S.R.R.; Machuqueiro, M.; Darbre, T.; Baptista, A.M.. "Structuring peptide dendrimers through pH modulation and substrate binding". Journal of Physical Chemistry B 120 38 (2016): 10138-10152. http://www.scopus.com/inward/record.url?eid=2-s2.0-84992322845&partnerID=MN8TOARS.
    10.1021/acs.jpcb.6b05905
  13. Carvalheda, C.A.; Campos, S.R.R.; Baptista, A.M.. "The Effect of Membrane Environment on Surfactant Protein C Stability Studied by Constant-pH Molecular Dynamics". Journal of Chemical Information and Modeling 55 10 (2015): 2206-2217. http://www.scopus.com/inward/record.url?eid=2-s2.0-84945581645&partnerID=MN8TOARS.
    10.1021/acs.jcim.5b00076
  14. Correia, M.; Snabe, T.; Thiagarajan, V.; Petersen, S.B.; Campos, S.R.R.; Baptista, A.M.; Neves-Petersen, M.T.. "Photonic activation of plasminogen induced by low dose UVB". PLoS ONE 10 1 (2015): http://www.scopus.com/inward/record.url?eid=2-s2.0-84922108038&partnerID=MN8TOARS.
    10.1371/journal.pone.0116737
  15. De Barros, D.P.C.; Campos, S.R.R.; Madeira, P.P.; Azevedo, A.M.; Baptista, A.M.; Aires-Barros, M.R.. "Modeling the partitioning of amino acids in aqueous two phase systems". Journal of Chromatography A 1329 (2014): 52-60. http://www.scopus.com/inward/record.url?eid=2-s2.0-84895141345&partnerID=MN8TOARS.
    10.1016/j.chroma.2013.12.015
  16. Carvalheda, C.A.; Campos, S.R.R.; Machuqueiro, M.; Baptista, A.M.. "Structural effects of ph and deacylation on surfactant protein c in an organic solvent mixture: A constant-pH MD study". Journal of Chemical Information and Modeling 53 11 (2013): 2979-2989. http://www.scopus.com/inward/record.url?eid=2-s2.0-84888621173&partnerID=MN8TOARS.
    10.1021/ci400479c
  17. Damas, J.M.; Filipe, L.C.S.; Campos, S.R.R.; Lousa, D.; Victor, B.L.; Baptista, A.M.; Soares, C.M.. "Predicting the thermodynamics and kinetics of helix formation in a cyclic peptide model". Journal of Chemical Theory and Computation 9 11 (2013): 5148-5157. http://www.scopus.com/inward/record.url?eid=2-s2.0-84887835236&partnerID=MN8TOARS.
    10.1021/ct400529k
  18. Mateus, P.; Delgado, R.; Groves, P.; Campos, S.R.R.; Baptista, A.M.; Brandão, P.; Félix, V.. "Water encapsulation in a polyoxapolyaza macrobicyclic compound". Journal of Organic Chemistry 77 16 (2012): 6816-6824. http://www.scopus.com/inward/record.url?eid=2-s2.0-84865230787&partnerID=MN8TOARS.
    10.1021/jo300799s
  19. Vila-Viçosa, D.; Campos, S.R.R.; Baptista, A.M.; MacHuqueiro, M.. "Reversibility of prion misfolding: Insights from constant-PH molecular dynamics simulations". Journal of Physical Chemistry B 116 30 (2012): 8812-8821. http://www.scopus.com/inward/record.url?eid=2-s2.0-84864755277&partnerID=MN8TOARS.
    10.1021/jp3034837
  20. Campos, S.R.R.; MacHuqueiro, M.; Baptista, A.M.. "Constant-pH molecular dynamics simulations reveal a ß-rich form of the human prion protein". Journal of Physical Chemistry B 114 39 (2010): 12692-12700. http://www.scopus.com/inward/record.url?eid=2-s2.0-77957317648&partnerID=MN8TOARS.
    10.1021/jp104753t
  21. MacHuqueiro, M.; Campos, S.R.R.; Soares, C.M.; Baptista, A.M.. "Membrane-induced conformational changes of kyotorphin revealed by molecular dynamics simulations". Journal of Physical Chemistry B 114 35 (2010): 11659-11667. http://www.scopus.com/inward/record.url?eid=2-s2.0-77956326420&partnerID=MN8TOARS.
    10.1021/jp104418g
  22. Campos, S.R.R.; Baptista, A.M.. "Conformational analysis in a multidimensional energy landscape: Study of an arginylglutamate repeat". Journal of Physical Chemistry B 113 49 (2009): 15989-16001. http://www.scopus.com/inward/record.url?eid=2-s2.0-71549167017&partnerID=MN8TOARS.
    10.1021/jp902991u
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2023/06/26 How does pH affect the distribution of ions around proteins? Protein Electrostatics Conference
(Genoa, Italy)
2023/06/26 Computing the energetics of palmitate-BLG complex using constant-pH molecular dynamics Protein Electrostatics Conference
(Genoa, Italy)
2019/12/20 The effect of proton binding on dimer formation and other structural properties of beta-lactoglobulin: a constant-pH MD study (keynote) EJIBCE - National meeting of young structural computational biology researchers
Faculdade de Ciências da Universidade de Lisboa (Lisbon, Portugal)

Supervision

Thesis Title
Role 		Degree Subject (Type)
Institution / Organization
2019/11 - Current Modelling pH effects on beta-lactoglobulin using constant-pH molecular dynamics methods
Co-supervisor of Lucie da Rocha
 Biochemistry (PhD)
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
2017/02 - 2018/06 Molecular modeling study of ß-lactoglobulin dimerization: a first step to hypoallergen design for immunotherapy
Co-supervisor of Lucie da Rocha
 Biochemistry for Health (Master)
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
2015/09 - 2016/10 Study of the effect of electrochemical gradients on the function of cytochrome c oxidase using molecular simulation methods
Co-supervisor of Catarina Grazina
 Bioquímica Médica (Master)
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal
2010/09 - 2011/11 Study of pH-dependent misfolding of surfactant protein C using state-of-the-art molecular modelling techniques
Co-supervisor of Catarina Azevedo Carvalheda dos Santos
 Biochemistry (Master)
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Event organisation

Event name
Type of event (Role) 		Institution / Organization
2017/05/27 - 2017/05/27 ITQB Open Day 2017 (2017/05/27 - 2017/05/27)
Other (Member of the Organising Committee)
 Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
2016/12/21 - 2016/12/21 EJIBCE 2016: National meeting of young structural computational biology researchers (2016/12/21 - 2016/12/21)
Meeting (Member of the Organising Committee)
 Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
2014/07/08 - 2014/07/11 Protein Electrostatics satellite meeting of EBEC 2014 (2014/07/08 - 2014/07/11)
Meeting (Member of the Organising Committee)
 Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Mentoring / Tutoring

Topic Student name
2018/10 - 2019/10 Supervision of post-graduate student Lucie da Rocha
2011/12 - 2014/04 Co-supervision of post-graduate student Catarina Azevedo Carvalheda dos Santos
Distinctions

Other distinction

2006 PhD fellowship SFRH/BD/23506/2005
Fundação para a Ciência e a Tecnologia, Portugal