Paulo José Garcia de Lemos Trigueiros de Martel
Professor auxiliar
Subsistema
Docentes Universitário
Unidade ID externa
Centro de Investigação em Tecnologias e Serviços de Saúde (CINTESIS)
Regime
Exclusividade
Vínculo
CT em Funções Públicas por tempo indeterminado
Paulo José Martel. Completed the Doutoramento in Protein Electrostatics: Theory, Methods and Applications in 2006/06/01 by Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica and Licenciatura in Bioquímica in 1988 by Universidade de Lisboa Faculdade de Ciências. Is Assistant Professor in Universidade do Algarve - Campus de Gambelas and Principal Investigator in Centro de Investigação em Tecnologias e Serviços de Saúde. Published 26 articles in journals. Has 4 section(s) of books and 2 book(s). Organized 1 event(s). Participated in 4 event(s). Supervised 1 PhD thesis(es). Supervised 1 MSc dissertation(s). Participates and/or participated as Principal investigator in 1 project(s). Works in the area(s) of Natural sciences with emphasis on Biological Sciences with emphasis on Biophysics and Exact Sciences with emphasis on Computer and Information Sciences with emphasis on Bioinformatics. In his curriculum Ciência Vitae the most frequent terms in the context of scientific, technological and artistic-cultural output are: Bioinformatics; Machine Learning ; Computational Biology ; Molecular Modelling; Computer-Aided Drug Design; Protein molecular modelling; Biomolecular Modelling; Protein Electrostatics; Molecular Dynamics; Structural Bioinformatics; Structural Modelling; Computational Drug Design; Docking ; Virtual Screening ; Data Science; Grid computing ; open science ; data quality; digital infrastructures ; research communities; structural biology:; computational biology; Enzymology; Structural Biology ; Structural Biochemistry; Macromolecules; Proteins; Simulation; Bioinformatis; Binformatics; Sequence alignment; BLAST; Phylogeny; Biodatabanks; on-line tools; pKa; protonation; machine learning; proteins; constant-pH MD ; .
Atividades
Atividades
2018 - Presente. Outro júri / avaliação. Member of evaluation panel for Agência Nacional de Informação (ANI) research grants.. Agência Nacional de Inovação SA.
2014/09/22 - Presente. Curso / Disciplina lecionado. Molecular modelling and Computational Drug Design. Ciências Farmacêuticas (Mestrado integrado). Universidade do Algarve.
2013 - Presente. Membro de comissão. Member of the Scientific Committee for Neurosciences Scientific Prizes of Santa Casa da Misericórdia de Lisboa. Duties including evaluatio of grant progress reports and counselling an all issues related with prize regulations and management of applications. . Consultor. Santa Casa da Misericórdia de Lisboa.
2013 - Presente. Curso / Disciplina lecionado. Computational Biology. Ciências Biomédicas (Mestrado integrado). Universidade do Algarve.
2004/10/01 - Presente. Curso / Disciplina lecionado. Bioinformática. Bioquímica. Universidade do Algarve.
2004/02/01 - Presente. Curso / Disciplina lecionado. Bioquímica Estrutural. Bioquímica (Licenciatura). Universidade do Algarve.
1999/03/01 - Presente. Curso / Disciplina lecionado. Enzymology. Bioquímica (Licenciatura). Universidade do Algarve.
2024/01/24 - 2024/01/25. Participação em evento. Running GROMACS molecular modelling software on the LUMI supercomputer.. Oficina (workshop). Running GROMACS efficiently on LUMI workshop 2024. EuroHPC Joint Undertaking.
2023/12/06 - 2023/12/09. Participação em evento. EMBO Workshop: Computational structural biology. Conferência. EMBO Workshop: Computational structural biology. European Molecular Biology Laboratory.
2023/07/03. Júri de grau académico. Bis-ureias derivadas de benzo[b]tiofeno para a inibição de agregados Aß-LilrB2 na Doença de Alzheimer: uma investigação in silico. Arguente principal. Joel José Pereira Santos (Mestrado). Universidade de Aveiro.
2023/05/16. Júri de grau académico. A new generation of user-friendly and machine learning-accelerated methods for protein pKa calculations. Arguente principal. Pedro de Brito Pires Santos Reis (Doutoramento). Fundação da Faculdade de Ciências da Universidade de Lisboa.
2023/04/14. Júri de grau académico. Interacções proteína-proteína e proteína-RNA na proteína não-estrutural 1 (NS1) do vírus Influenza. Arguente principal. Nícia Filipa Rosário Ferreira (Doutoramento). Universidade de Coimbra.
2020/03 - 2022/12/15. Orientação. Descoberta de moléculas moduladoras da interação Foxo3-DNA.Ciências Farmacêuticas (Mestrado). Orientador.
2022/10/10 - 2022/10/13. Organização de evento. 11th IBERGRID Iberian Grid Computation Conference (2022). Infraestrutura Nacional de Computação Distribuída; Universidade do Algarve; Consejo Superior de Investigaciones Científicas; Laboratório de Instrumentação e Física Experimental de Partículas.
2021/11/02 - 2021/11/04. Participação em evento. 3D-BioInfo 2021 Annual Meeting: Structural bioinformatics . Conferência. 3D-BioInfo 2021 Annual Meeting. ELIXIR, Wellcome Genome Campus.
2021/05/04 - 2021/05/05. Participação em evento. PDB50: A special symposium celebrating the 50th anniversary of the Protein Data Bank . Conferência. PDB50: A special symposium celebrating the 50th anniversary of the Protein Data Bank. World Wide Protein Databank.
2010 - 2015. Orientação. Optimization of Molecular Dynamics Simulation Code and Applications to Biomolecular Systems.Computational Biochemisry (Doutoramento). Orientador.
Projetos
Projetos
2023/03/01 - 2023/09/30. Search for molecular modulators of Foxo3a activity, Projetos de Computação Avançada. Investigador responsável. Universidade do Algarve - Campus de Gambelas; Centro de Investigação em Tecnologias e Serviços de Saúde.
2012/02 - 2015/10. Alternative splicing and its impact on molecular networks during stem cell differentiation.
2012/02 - 2015/04. A Biophysical Approach to Oxidative Protein Folding in the ER: Relative Importance of Ero1 and Prdx4 alternative pathways.
2009/01 - 2012/12. Thermodynamic Signature of the Pregnane Xenobiotic Receptor Activation by Quartz Crystal Microbalance with Heat Conduction Calorimetry.
2009/01 - 2012/06. Biomolecular Engineering Approches for in vitro Production of Self Assembly Viral Nanoparticles.
2005/04 - 2008/06. Theoretical and Experimental Studies of Enzyme Conformation, Energetics and Dynamics of CYP3A4.
2003 - 2005. Relationship between CYP3A4 gene polymorphisms, protein structure and activity in disease setting.
2002 - 2004. Structure and function of elicitins and their role in the infection of the cork oak by Phytophthora cinnamomi.
2001 - 2003. Molecular modelling of bacterial redox proteins: methodology and applications.
2000 - 2002. Structure-function relationships of serine hydrolases in non-conventional solvents.
1996 - 1998. Molecular modelling of electron-transfer proteins.
Produções
Martins, A.M.; Latham, J.A.; Martel, P.J.; Barr, I.; Iavarone, A.T.; Klinman, J.P.. 2019. "A two-component protease in Methylorubrum extorquens with high activity toward the peptide precursor of the redox cofactor pyrroloquinoline quinone". Journal of Biological Chemistry, 294 (41): 15025-15036. https://doi.org/10.1074/jbc.RA119.009684
Marques, C.L.; Fernández, I.; Viegas, M.N.; Cox, C.J.; Martel, P.; Rosa, J.; Cancela, M.L.; Laizé, V.. 2016. "Comparative analysis of zebrafish bone morphogenetic proteins 2, 4 and 16: Molecular and evolutionary perspectives". Cellular and Molecular Life Sciences, 73 (4): 841-857. https://doi.org/10.1007/s00018-015-2024-x
Marques CL; Fernández I; Viegas MN; Cox CJ; Martel P; Rosa J; Cancela ML; Laizé V. 2015. "Comparative analysis of zebrafish bone morphogenetic proteins 2, 4 and 16: molecular and evolutionary perspectives.". http://europepmc.org/abstract/med/26341094
Varanda CM; Machado M; Martel P; Nolasco G; Clara MI; Félix MR. 2015. "Correction: Genetic Diversity of the Coat Protein of Olive Mild Mosaic Virus (OMMV) and Tobacco Necrosis Virus D (TNV-D) Isolates and Its Structural Implications.". https://doi.org/10.1371/journal.pone.0128171
Silva G; Lima FP; Martel P; Castilho R. 2014. "Thermal adaptation and clinal mitochondrial DNA variation of European anchovy.". https://doi.org/10.1098/rspb.2014.1093
Varanda CM; Machado M; Martel P; Nolasco G; Clara MI; Félix MR. 2014. "Genetic diversity of the coat protein of Olive mild mosaic virus (OMMV) and Tobacco necrosis virus D (TNV-D) isolates and its structural implications.". https://doi.org/10.1371/journal.pone.0110941
Freedman, Holly; Martel, Paulo; Cruzeiro, Leonor. 2011. "Mixed quantum-classical dynamics of an amide-I vibrational excitation in a protein alpha-helix (vol 82, 174308, 2010)". Physical Review B, 84 (13). https://doi.org/10.1103/PhysRevB.84.139902
Teixeira VH; Ribeiro V; Martel PJ. 2010. "Analysis of binding modes of ligands to multiple conformations of CYP3A4.". https://doi.org/10.1016/j.bbapap.2010.06.008
Freedman, Holly; Martel, Paulo; Cruzeiro, Leonor. 2010. "Mixed quantum-classical dynamics of an amide-I vibrational excitation in a protein alpha-helix". Physical Review B, 82 (17). https://doi.org/10.1103/PhysRevB.82.174308
Tiago T; Martel P; Gutiérrez-Merino C; Aureliano M. 2007. "Binding modes of decavanadate to myosin and inhibition of the actomyosin ATPase activity.". https://doi.org/10.1016/j.bbapap.2007.02.004
Rodrigues ML; Archer M; Martel P; Miranda S; Thomaz M; Enguita FJ; Baptista RP; et al. 2006. "Crystal structures of the free and sterol-bound forms of beta-cinnamomin.". https://doi.org/10.1016/j.bbapap.2005.09.008
Laizé V; Martel P; Viegas CS; Price PA; Cancela ML. 2005. "Evolution of matrix and bone gamma-carboxyglutamic acid proteins in vertebrates.". https://doi.org/10.1074/jbc.M500257200
Rodrigues ML; Archer M; Martel P; Jacquet A; Cravador A; Carrondo MA. 2002. "Structure of beta-cinnamomin, a protein toxic to some plant species.". https://doi.org/10.1107/S0907444902010107
Martel, P. J.; Rodrigues, L.; Cravador, A.. 2002. "Electrostatic calculations on fungal elicitins". Abstracts of Papers of the American Chemical Society, 223: C72-C72. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000176296801804&KeyUID=WOS:000176296801804
Baptista AM; Martel PJ; Soares CM. 1999. "Simulation of electron-proton coupling with a Monte Carlo method: application to cytochrome c3 using continuum electrostatics.". https://doi.org/10.1016/S0006-3495(99)77452-7
Martel PJ; Soares CM; Baptista AM; Fuxreiter M; Náray-Szabó G; Louro RO; Carrondo MA. 1999. "Comparative redox and pKa calculations on cytochrome c3 from several Desulfovibrio species using continuum electrostatic methods.". https://doi.org/10.1007/s007750050291
Soares CM; Martel PJ; Mendes J; Carrondo MA. 1998. "Molecular dynamics simulation of cytochrome c3: studying the reduction processes using free energy calculations.". https://doi.org/10.1016/S0006-3495(98)77882-8
Sebastião MJ; Martel P; Baptista A; Petersen SB; Cabral JM; Aires-Barros MR. 1997. "Predicting the partition coefficients of a recombinant cutinase in polyethylene glycol/phosphate aqueous two-phase systems.". https://doi.org/10.1002/(SICI)1097-0290(19971105)56:3<248::AID-BIT2>3.0.CO;2-J
Baptista AM; Martel PJ; Petersen SB. 1997. "Simulation of protein conformational freedom as a function of pH: constant-pH molecular dynamics using implicit titration.". https://doi.org/10.1002/(SICI)1097-0134(199704)27:4<523::AID-PROT6>3.3.CO;2-9
Soares, C. M.; Martel, P. J.; Carrondo, M. A.. 1997. "Theoretical studies on the redox-Bohr effect in cytochrome c(3) from Desulfovibrio vulgaris Hildenborough". Journal of Biological Inorganic Chemistry, 2 (6): 714-727. https://doi.org/10.1007/s007750050188
Martel, Paulo J.; Baptista, António; Petersen, Steffen B.. 1996. "Protein Electrostatics". Em Biotechnology Annual Review, 315-372. Estados Unidos: Elsevier. https://doi.org/10.1016/s1387-2656(08)70016-4
Martel, Paulo. 1994. "Protein Engineering". Suiça.
Anthonsen HW; Baptista A; Drabløs F; Martel P; Petersen SB. 1994. "The blind watchmaker and rational protein engineering.". https://doi.org/10.1016/0168-1656(94)90152-X
Pires MJ; Martel P; Baptista A; Petersen SB; Willson RC; Cabral JM. 1994. "Improving protein extraction yield in reversed micellar systems through surface charge engineering.". https://doi.org/10.1002/bit.260440702
Baptista, Antonio; Brautaset, Trygve; Drabløs, Finn; Martel, Paulo; Valla, Svein; Petersen, Steffen B.. 1995. "Electrostatic studies of carbohydrate active enzymes". Em Carbohydrate Bioengineering, Proceedings of an International Conference, 181-204. Elsevier. https://doi.org/10.1016/s0921-0423(06)80103-6
Anthonsen, Henrik W.; Baptista, António; Drabløs, Finn; Martel, Paulo; Petersen, Steffen B.; Sebastião, Maria; Vaz, Louis. 1995. "Lipases and esterases: a review of their sequences, structure and evolution". Em Biotechnology Annual Review Volume 1, 315-371. Elsevier. https://doi.org/10.1016/s1387-2656(08)70056-5
Petersen MT; Martel P; Petersen EI; Drabløs F; Petersen SB. 1997. "Surface and electrostatics of cutinases.". https://doi.org/10.1016/S0076-6879(97)84009-8
Baptista, A.M.; Martel, P.J.; Petersen, S.B.. 1997. "Simulation of protein conformational freedom as a function of pH: Constant-pH molecular dynamics using implicit titration". Proteins: Structure, Function and Genetics, 27 (4): 523-544. https://doi.org/10.1002/(SICI)1097-0134(199704)27:4<523::AID-PROT6>3.0.CO;2-B
Martel, P.J.; Baptista, A.; Petersen, S.B.. 1996. Protein Electrostatics. Vol. 2. https://doi.org/10.1016/S1387-2656(08)70016-4
Santos, Bruno F.; Grenho, Inês; Martel, Paulo; Ferreira, Bibiana I.; Link, Wolfgang. Autor correspondente: Link, Wolfgang. 2023. "FOXO family isoforms". Cell Death & Disease, 14 (10). https://doi.org/10.1038/s41419-023-06177-1
Zhi, Xiangyun; Vieira, Ana; Huse, Kristin K.; Martel, Paulo; Lobkowicz, Ludmila; Li, Ho Kwong; Croucher, Nick; et al. Autor correspondente: Sriskandan, Shiranee. 2023. "Characterization of the RofA regulon in the pandemic M1global and emergent M1UK lineages of Streptococcus pyogenes". Microbial Genomics, 9 (12). https://doi.org/10.1099/mgen.0.001159
