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Identificação

Identificação pessoal

Nome completo
Irina de Sousa Moreira

Nomes de citação

  • Moreira, Irina S

Identificadores de autor

Ciência ID
E516-94C9-7B1B
ORCID iD
0000-0003-2970-5250
Google Scholar ID
https://scholar.google.com/citations?user=8D0bgIIAAAAJ&hl=en
Researcher Id
K-4711-2012
Scopus Author Id
57191249780

Endereços de correio eletrónico

  • irina.moreira@cnc.uc.pt (Pessoal)
  • irina.moreira@cnc.uc.pt (Pessoal)

Moradas

  • UC-Biotech Parque Tecnológico de Cantanhede, Núcleo 04, Lote B, 3060-197 , Cantanhede, Coimbra, Portugal (Profissional)

Websites

  • www.moreiralab.com (Académico)

Domínios de atuação

  • Ciências Exatas - Química
  • Ciências Naturais - Ciências Biológicas - Bioquímica
  • Ciências Exatas - Ciências da Computação e da Informação - Bioinformática
  • Ciências Médicas e da Saúde - Biotecnologia Médica - Biotecnologia Aplicada à Saúde
  • Ciências da Engenharia e Tecnologias - Outras Ciências da Engenharia e Tecnologias - Outras áreas das Engenharias e Tecnologias

Idiomas

Idioma Conversação Leitura Escrita Compreensão Peer-review
Inglês Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2)
Formação
Grau Classificação
2020/09 - 2023/09
Em curso
Mathematics (Licenciatura)
Universidade do Porto, Portugal
2020/09
Concluído
Engenharia Matemática (Mestrado)
Universidade do Porto Faculdade de Ciências, Portugal
"Supervised Classification applied to hot-spot detection in protein-protein interfaces" (TESE/DISSERTAÇÃO)
2016 - 2018
Concluído
Marie Curie Fellow (Pós-doutoramento)
Universiteit Utrecht, Países Baixos
2008 - 2009
Concluído
In silico characterization of GPCRs (Pós-doutoramento)
Cornell University Joan and Sanford I Weill Medical College, Estados Unidos
2008/06/18
Concluído
Química (Doutoramento)
Especialização em Química Computacional
Universidade do Porto Faculdade de Ciências, Portugal
"Design of Anti-cancer Drugs That Target the Vascular Endothelial Growth Factor (vegf)" (TESE/DISSERTAÇÃO)
1998 - 2003
Concluído
Bioquímica (Licenciatura)
Especialização em Applied Biochemistry - Engenheiro António Almeida Award for the top grade on 2003
Universidade do Porto Faculdade de Ciências, Portugal
"Genetic Study of Spinocerebellar Ataxias and Familial Hemiplegic Migraine caused by Calcium Channel" (TESE/DISSERTAÇÃO)
Percurso profissional

Ciência

Categoria Profissional
Instituição de acolhimento
Empregador
2015 - 2019 Investigador Auxiliar (carreira) (Investigação) Universidade de Coimbra Centro de Neurociências e Biologia Celular, Portugal
Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2016 - 2018 Pós-doutorado (Investigação) Universiteit Utrecht, Países Baixos
Universiteit Utrecht, Países Baixos
2009 - 2014 Investigador Auxiliar (carreira) (Investigação) Universidade do Porto Faculdade de Ciências, Portugal
2008 - 2009 Pós-doutorado (Investigação) Cornell University Joan and Sanford I Weill Medical College, Estados Unidos

Docência no Ensino Superior

Categoria Profissional
Instituição de acolhimento
Empregador
2019 - Atual Professor Auxiliar (Docente Universitário) Universidade de Coimbra, Portugal

Cargos e Funções

Categoria Profissional
Instituição de acolhimento
Empregador
2021/09 - Atual Vice-Presidente BioData.pt, Portugal

Outros

Categoria Profissional
Instituição de acolhimento
Empregador
2020/09 - Atual Coordinator of the Master Degree in Computational Biology Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2015 - Atual Group Leader of "Data Driven Molecular Design" Universidade de Coimbra Centro de Neurociências e Biologia Celular, Portugal
Universidade de Coimbra Centro de Neurociências e Biologia Celular, Portugal
Projetos

Bolsa

Designação Financiadores
2021 - Atual The Interaction between Stargazin and Kv7.2 and its Association with Psychiatric Disorders
2021.08282.BD
Orientador
Universidade de Coimbra, Portugal
Fundação para a Ciência e a Tecnologia
Em curso
2020 - Atual Cutting-Edge Virus-Host Interactome Discovery
2020.07766.BD
Orientador
Fundação para a Ciência e a Tecnologia
2020 - Atual Characterization of protein-protein interactions involving G-Protein-Coupled Receptor 143 by computational and pharmacological methods
SFRH/BD/149709/2019
Orientador
Fundação para a Ciência e a Tecnologia
2020 - Atual Dynamic brain function: towards the understanding and treatment of brain disorders
H2020-WIDESPE-2018-2020-6
Investigador
Universidade de Coimbra Centro de Neurociências e Biologia Celular, Portugal
European Commission
2020 - Atual Cutting-Edge Virus-Host Interactome Discovery: A Multi-Omics AI Driven Approach
DSAIPA/DS/0118/2020
Investigador responsável
Universidade de Coimbra Centro de Neurociências e Biologia Celular, Portugal
Fundação para a Ciência e a Tecnologia
2019 - Atual CIBB Statergic Plan
UIDB/04539/2020
Investigador
Fundação para a Ciência e a Tecnologia, Portugal
Fundação para a Ciência e a Tecnologia
Em curso
2019 - Atual ERNEST – European research Network on Signal Transduction
CA18133
Investigador
European Cooperation in Science and Technology, Bélgica
European Cooperation in Science and Technology
Em curso
2019 - Atual ADHEsion GPCR Network: Research and Implementation Set the path for future Exploration
CA18240
Investigador
European Cooperation in Science and Technology
2019 - Atual Deep-Learning application to in silico Drug Design
SFRH/BD/144966/2019
Orientador
Fundação para a Ciência e a Tecnologia
Em curso
2019 - Atual A computational approach to the structural and dynamical characterization of the ghrelin receptor function and mechanism
SFRH/BD/145457/2019
Orientador
Fundação para a Ciência e a Tecnologia
2018 - Atual STRATAGEM - New diagnostic and therapeutic tools against multidrug resistant tumours
CA17104
Investigador
European Cooperation in Science and Technology
2020 - 2023 Potassium channel dysfunction in models of neurodevelopmental disorders
Investigador
Universidade de Coimbra Centro de Neurociências e Biologia Celular, Portugal
Caixabank SA

Fundação para a Ciência e a Tecnologia
Em curso
2018 - 2022/06/02 Membrane proteins - development of new computational approaches and its application to G-Protein Coupled Receptors
PTDC/QUI-OUT/32243/2017
Investigador responsável
Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal

Universidade de Coimbra Centro de Neurociências e Biologia Celular, Portugal
Fundação para a Ciência e a Tecnologia
Em curso
2020 - 2021/12 Dissecting dopamine receptor 2 functional mechanism
CPCA/A2/7219/2020
Investigador responsável
Fundação para a Ciência e a Tecnologia
Concluído
2020 - 2021/09 Structural and functional role of CACNG2 gene mutations in psychiatric diseases
CPCA/A0/7302/2020
Investigador responsável
Fundação para a Ciência e a Tecnologia
Concluído
2018 - 2021/08 Targeting the transporters of cationic amino acids for cancer theranostics: experimental and computational chemistry approach
PTDC/QUI-NUC/30147/2017
Investigador
Fundação para a Ciência e a Tecnologia
Concluído
2018 - 2021/05 Deep learning in cancer drug discovery: a pipeline for the generation of new therapies
02/SAICT/2017/031356
PTDC/CCI-BIO/31356/2017
Universidade de Coimbra Centro de Neurociências e Biologia Celular, Portugal

Instituto de Engenharia de Sistemas e Computadores Tecnologia e Ciência, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2018 - 2019 Conformational dynamics, assembly and inhibition of GPCR oligomers
2017174234
Investigador
Partnership for Advanced Computing In Europe
Em curso
2017 - 2019 Early Detection, neuro-modelation and advanced therapies to brain disorders (institutionally-driven project)
Investigador
CNC.IBILI, Portugal
European Regional Development Fund
Concluído
2015 - 2019 Molecular mechanisms in signaling selectivity of G-Protein Coupled Receptors (GPCRs)
Investigador responsável
CNC.IBILI, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2017 - 2018 Structural and dynamic understanding of the ghrelin receptor function on memory and learning: a computational perspective
NWO16425
Investigador
Nederlandse Organisatie voor Wetenschappelijk Onderzoek
Concluído
2014 - 2018 Target-specific delivery of radioactivity to cancer cells by virus-like particles: a computational chemistry and bioengineering approach
SFRH/BPD/97650/2013
Orientador
Fundação para a Ciência e a Tecnologia
Concluído
2015 - 2016 Biased agonism in the dopamine receptor
ISCRA A BiaDop HP10CIQNJW
Investigador
Cineca
Concluído
2012 - 2015/04/30 Nitric Oxide Synthase targeting with Re(I)/99mTc(I)-complexes containing L-Arg derivatives: A structure-activity study
PTDC/QUI-QUI/121752/2010
Investigador
Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal

Universidade do Porto Instituto de Ciências e Tecnologias Agrárias e Agro-Alimentares, Portugal

Associação para a Inovação e Desenvolvimento da FCT, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2014 - 2015 In silico design of enzymatic anti-oxidant systems 2
IDEAS
Investigador
Cineca
Concluído
2013 - 2014 In silico design of semi i-synthetic functional mimics of glutathione peroxidase: from the rational choice of the organochalcogen to its bioincorporation in protein scaffols
IDEAS- CINECA
Investigador
Cineca
Concluído

Projeto

Designação Financiadores
2016 - 2018 Marie Sklodowska-Curie Individual Fellowship MSCA-IF-2015
MEMBRANEPROT 659826
Bolseiro de Integração na Investigação
Universiteit Utrecht, Países Baixos
Concluído
Produções

Publicações

Artigo em revista
  1. Caniceiro, Ana B.; Bueschbell, Beatriz; Schiedel, Anke C.; Moreira, Irina S.. "Class A and C GPCR dimers in neurodegenerative diseases". Current Neuropharmacology 20 (2022): http://dx.doi.org/10.2174/1570159x20666220327221830.
    10.2174/1570159x20666220327221830
  2. Catarina Marques-Pereira; Manuel N. Pires; Raquel P. Gouveia; Nádia N. Pereira; Ana B. Caniceiro; Nícia Rosário-Ferreira; Irina S. Moreira. "SARS-CoV-2 Membrane Protein: From Genomic Data to Structural New Insights". International Journal of Molecular Sciences 23 6 (2022): 2986-2986. https://doi.org/10.3390/ijms23062986.
    10.3390/ijms23062986
  3. Caldeira, G. L.; Inácio, A. S.; Beltrão, N.; Barreto, C. A. V.; Rodrigues, M. V.; Rondão, T.; Macedo, R.; et al. "Aberrant hippocampal transmission and behavior in mice with a stargazin mutation linked to intellectual disability". Molecular Psychiatry (2022): http://dx.doi.org/10.1038/s41380-022-01487-w.
    10.1038/s41380-022-01487-w
  4. Nícia Rosário-Ferreira; Alexandre M. J. J. Bonvin; Irina S. Moreira. "Using machine-learning-driven approaches to boost hot-spot's knowledge". WIREs Computational Molecular Science (2022): https://doi.org/10.1002/wcms.1602.
    10.1002/wcms.1602
  5. "Network Biology and Artificial Intelligence Drive the Understanding of the Multidrug Resistance Phenotype in Cancer". Drug Resistance Updates (2022): 100811-100811. http://dx.doi.org/10.1016/j.drup.2022.100811.
    10.1016/j.drup.2022.100811
  6. Rosário-Ferreira, Nícia; Baptista, Salete J.; Barreto, Carlos A. V.; Rodrigues, Filipe E. P.; Silva, Tomás F. D.; Ferreira, Sara G. F.; Vitorino, João N. M.; et al. "In Silico End-to-End Protein–Ligand Interaction Characterization Pipeline: The Case of SARS-CoV-2". ACS Synthetic Biology 10 11 (2021): 3209-3235. http://dx.doi.org/10.1021/acssynbio.1c00368.
    10.1021/acssynbio.1c00368
  7. Rosário-Ferreira, Nícia; Guimarães, Victor; Costa, Vítor S.; Moreira, Irina S.. "SicknessMiner: a deep-learning-driven text-mining tool to abridge disease-disease associations". BMC Bioinformatics 22 1 (2021): http://dx.doi.org/10.1186/s12859-021-04397-w.
    10.1186/s12859-021-04397-w
  8. Barreto, Carlos A. V.; Baptista, Salete J.; Preto, António J.; Silvério, Daniel; Melo, Rita; Moreira, Irina S.. "Decoding Partner Specificity of Opioid Receptor Family". Frontiers in Molecular Biosciences 8 (2021): http://dx.doi.org/10.3389/fmolb.2021.715215.
    10.3389/fmolb.2021.715215
  9. Nícia Rosário-Ferreira; Catarina Marques-Pereira; Manuel Pires; Daniel Ramalhão; Nádia Pereira; Victor Guimarães; Vítor Santos Costa; Irina Sousa Moreira. "The Treasury Chest of Text Mining: Piling Available Resources for Powerful Biomedical Text Mining". BioChem 1 2 (2021): 60-80. https://doi.org/10.3390/biochem1020007.
    10.3390/biochem1020007
  10. Pedro Matos-Filipe; António J Preto; Panagiotis I Koukos; Joana Mourão; Alexandre M J J Bonvin; Irina S Moreira. "MENSAdb: a thorough structural analysis of membrane protein dimers". Database (2021): https://doi.org/10.1093/database/baab013.
    10.1093/database/baab013
  11. Joana Santos; Miguel Cardoso; Irina S. Moreira; João Gonçalves; João D. G. Correia; Sandra Cabo Verde; Rita Melo. "Integrated in Silico and Experimental Approach towards the Design of a Novel Recombinant Protein Containing an Anti-HER2 scFv". International Journal of Molecular Sciences 22 7 (2021): 3547-3547. https://doi.org/10.3390/ijms22073547.
    10.3390/ijms22073547
  12. Preto, A. J.; Moreira, Irina S.. "SPOTONE: Hot Spots on Protein Complexes with Extremely Randomized Trees via Sequence-Only Features". International Journal of Molecular Sciences 21 19 (2020): 7281. http://dx.doi.org/10.3390/ijms21197281.
    10.3390/ijms21197281
  13. Michael González-Durruthy; Amal Kanta Giri; Irina Moreira; Riccardo Concu; André Melo; Juan M. Ruso; M. Natália D.S. Cordeiro. "Computational modeling on mitochondrial channel nanotoxicity". Nano Today 34 (2020): 100913-100913. https://doi.org/10.1016/j.nantod.2020.100913.
    10.1016/j.nantod.2020.100913
  14. Preto, António José; Barreto, Carlos A.V.; Baptista, Salete; Almeida, Jose; Lemos, Agostinho; Melo, André; Cordeiro, Maria Natália D.S.; et al. "Understanding the binding specificity of G-protein coupled receptors towards G-proteins and Arrestins: application to the dopamine receptor family". Journal of Chemical Information and Modeling (2020): http://dx.doi.org/10.1021/acs.jcim.0c00371.
    10.1021/acs.jcim.0c00371
  15. Nícia Rosário-Ferreira; António J. Preto; Rita Melo; Irina S. Moreira; Rui M. M. Brito. "The Central Role of Non-Structural Protein 1 (NS1) in Influenza Biology and Infection". International Journal of Molecular Sciences (2020): https://doi.org/10.3390/ijms21041511.
    10.3390/ijms21041511
  16. Koukos, Panagiotis I.; Roel-Touris, Jorge; Ambrosetti, Francesco; Geng, Cunliang; Schaarschmidt, Jörg; Trellet, Mikael E.; Melquiond, Adrien S. J.; et al. "An overview of data-driven HADDOCK strategies in CAPRI rounds 38-45". Proteins: Structure, Function, and Bioinformatics 88 8 (2020): 1029-1036. http://dx.doi.org/10.1002/prot.25869.
    10.1002/prot.25869
  17. Moreira, Irina S. "Dynamical Rearrangement of Human Epidermal Growth Factor Receptor 2 upon Antibody Binding: Effects on the Dimerization". Biomolecules (2019): http://dx.doi.org/10.3390/biom9110706.
    10.3390/biom9110706
  18. Beatriz Bueschbell; Carlos Barreto; António J. Preto; Anke Schiedel; Irina Moreira. "A Complete Assessment of Dopamine Receptor- Ligand Interactions through Computational Methods". Molecules (2019): https://www.mdpi.com/1420-3049/24/7/1196.
    10.3390/molecules24071196
  19. Melo, Rita; Lemos, Agostinho; Preto, Antonio J.; Almeida, Jose G.; Correia, Joao D.G.; Sensoy, Ozge; Moreira, Irina S.. "Computational Approaches in Antibody-drug Conjugate Optimization for Targeted Cancer Therapy". Current Topics in Medicinal Chemistry 18 13 (2018): 1091-1109. http://dx.doi.org/10.2174/1568026618666180731165222.
    10.2174/1568026618666180731165222
  20. Moreira, Irina Sousa; Sensoy, Ozge. "Modulation of Protein-Protein Interactions for the Development of Effective Therapeutics - From a Joint Perspective of Experiment and Computation". Current Topics in Medicinal Chemistry 18 8 (2018): 645-646. http://dx.doi.org/10.2174/156802661808180718151704.
    10.2174/156802661808180718151704
  21. Schiedel AC; Kose M; Barreto C; Bueschbell B; Morra G; Sensoy O; Moreira IS. "Prediction and Targeting of Interaction Interfaces in G-Protein Coupled Receptor Oligomers.". Current topics in medicinal chemistry (2018): http://europepmc.org/abstract/med/29866008.
    10.2174/1568026618666180604082610
  22. Lemos A; Melo R; Preto AJ; Almeida JG; Moreira IS; Dias Soeiro Cordeiro MN. "In Silico Studies Targeting G-protein Coupled Receptors for Drug Research Against Parkinson's Disease.". Current neuropharmacology (2018): http://europepmc.org/abstract/med/29521236.
    10.2174/1570159x16666180308161642
  23. Irina S. Moreira; Panagiotis I. Koukos; Rita Melo; Jose G. Almeida; Antonio J. Preto; Joerg Schaarschmidt; Mikael Trellet; et al. "SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots". Scientific Reports (2017):
    10.1038/s41598-017-08321-2
  24. Jose G. Almeida; Antonio J. Preto; Panagiotis I. Koukos; Alexandre M.J.J. Bonvin; Irina S. Moreira. "Membrane proteins structures: A review on computational modeling tools". Biochimica et Biophysica Acta (BBA) - Biomembranes 1859 10 (2017): 2021-2039. https://doi.org/10.1016/j.bbamem.2017.07.008.
    10.1016/j.bbamem.2017.07.008
  25. Moreira, Irina. "Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2.". Journal of computer-aided molecular design (2017): http://europepmc.org/abstract/med/28831657.
    10.1007/s10822-017-0049-y
  26. Moreira, Irina. "Understanding the Differential Selectivity of Arrestins toward the Phosphorylation State of the Receptor.". ACS chemical neuroscience (2016): http://europepmc.org/abstract/med/27405242.
    10.1021/acschemneuro.6b00073
  27. Moreira, Irina. "A Machine Learning Approach for Hot-Spot Detection at Protein-Protein Interfaces.". International journal of molecular sciences (2016): http://europepmc.org/abstract/med/27472327.
    10.3390/ijms17081215
  28. Moreira, Irina. "General AMBER Force Field Parameters for Diphenyl Diselenides and Diphenyl Ditellurides.". The journal of physical chemistry. A (2016): http://europepmc.org/abstract/med/27267296.
    10.1021/acs.jpca.6b02250
  29. Moreira IS. "The Role of Water Occlusion for the Definition of a Protein Binding Hot-Spot.". Current topics in medicinal chemistry (2015): http://europepmc.org/abstract/med/25986686.
    10.2174/1568026615666150519103733
  30. Munteanu, Cristian R.; Pimenta, Antonio C.; Fernandez-Lozano, Carlos; Melo, Andre; Cordeiro, Maria N. D. S.; Moreira, Irina S.. "Solvent Accessible Surface Area-Based Hot-Spot Detection Methods for Protein-Protein and Protein-Nucleic Acid Interfaces". Journal of Chemical Information and Modeling 55 5 (2015): 1077-1086. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000355382200015&KeyUID=WOS:000355382200015.
    10.1021/ci500760m
  31. Oliveira, Bruno L.; Morais, Mauricio; Mendes, Filipa; Moreira, Irina S.; Cordeiro, Carlos; Fernandes, Pedro A.; Ramos, Maria J.; et al. "Re(I) and Tc(I) Complexes for Targeting Nitric Oxide Synthase: Influence of the Chelator in the Affinity for the Enzyme". Chemical Biology & Drug Design 86 5 (2015): 1072-1086. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000365404100013&KeyUID=WOS:000365404100013.
    10.1111/cbdd.12575
  32. Moreira, Irina S.; Martins, Joao M.; Coimbra, Joa T. S.; Ramos, Maria J.; Fernandes, Pedro A.. "A new scoring function for protein-protein docking that identifies native structures with unprecedented accuracy". Physical Chemistry Chemical Physics 17 4 (2015): 2378-2387. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000346906700012&KeyUID=WOS:000346906700012.
    10.1039/c4cp04688a
  33. Martins, Joao M.; Ramos, Rui M.; Pimenta, Antonio C.; Moreira, Irina S.. "Solvent-accessible surface area: How well can be applied to hot-spot detection?". Proteins-Structure Function and Bioinformatics 82 3 (2014): 479-490. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000331368200013&KeyUID=WOS:000331368200013.
    10.1002/prot.24413
  34. Pimenta, A. C.; Fernandes, R.; Moreira, I. S.. "Evolution of drug resistance: insight on TEM ß-lactamases structure and activity and ß-lactam antibiotics". Mini Rev Med Chem 14 2 (2014): 111-22. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000340832600002&KeyUID=WOS:000340832600002.
    10.2174/1389557514666140123145809
  35. Moreira, Irina S.. "Structural features of the G-protein/GPCR interactions". Biochimica Et Biophysica Acta-General Subjects 1840 1 (2014): 16-33. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000330556200003&KeyUID=WOS:000330556200003.
    10.1016/j.bbagen.2013.08.027
  36. Pimenta, A. C.; Dourado, D. F. A. R.; Martins, J. M.; Melo, A.; Dias Soeiro Cordeiro, M. N.; Almeida, R. D.; Morra, G.; Moreira, I. S.. "Dynamic Structure of NGF and proNGF Complexed with p75NTR: Pro-Peptide Effect". Journal of Chemical Information and Modeling 54 7 (2014): 2051-2067. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000339647000021&KeyUID=WOS:000339647000021.
    10.1021/ci500101n
  37. Moreira, Irina Sousa; Ramos, Rui Miguel; Martins, Joao Miguel; Fernandes, Pedro Alexandrino; Ramos, Maria Joao. "Are hot-spots occluded from water?". Journal of Biomolecular Structure & Dynamics 32 2 (2014): 186-197. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000327236900002&KeyUID=WOS:000327236900002.
    10.1080/07391102.2012.758598
  38. Moreira, I. S.; Martins, J. M.; Ramos, R. M.; Fernandes, P. A.; Ramos, M. J.. "Understanding the importance of the aromatic amino-acid residues as hot-spots". Biochimica Et Biophysica Acta-Proteins and Proteomics 1834 1 (2013): 404-414. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000314620400042&KeyUID=WOS:000314620400042.
    10.1016/j.bbapap.2012.07.005
  39. Carneiro, J.; Duarte-Pereira, S.; Azevedo, L.; Castro, L. F. C.; Aguiar, P.; Moreira, I. S.; Amorim, A.; Silva, R. M.. "The Evolutionary Portrait of Metazoan NAD Salvage". Plos One 8 5 (2013): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000319733000079&KeyUID=WOS:000319733000079.
    10.1371/journal.pone.0064674
  40. Ramos, Rui M.; Moreira, Irina S.. "Computational Alanine Scanning Mutagenesis—An Improved Methodological Approach for Protein–DNA Complexes". Journal of Chemical Theory and Computation 9 9 (2013): 4243-4256. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000330096800039&KeyUID=WOS:000330096800039.
    10.1021/ct400387r
  41. Ramos, R. M.; Fernandes, L. F.; Moreira, I. S.. "Extending the applicability of the O-ring theory to protein-DNA complexes". Computational Biology and Chemistry 44 (2013): 31-39. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000318390200005&KeyUID=WOS:000318390200005.
    10.1016/j.compbiolchem.2013.02.005
  42. Martins, Silvia A.; Perez, Marta A. S.; Moreira, Irina S.; Sousa, Sergio F.; Ramos, M. J.; Fernandes, P. A.. "Computational Alanine Scanning Mutagenesis: MM-PBSA vs TI". Journal of Chemical Theory and Computation 9 3 (2013): 1311-1319. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000316168700002&KeyUID=WOS:000316168700002.
    10.1021/ct4000372
  43. Martins, Joao M.; Ramos, Rui M.; Moreira, Irina S.. "Structural Determinants of a Typical Leucine-Rich Repeat Protein". Communications in Computational Physics 13 1 (2013): 238-255. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000306807400014&KeyUID=WOS:000306807400014.
    10.4208/cicp.300711.230911s
  44. Oliveira, B. L.; Moreira, I. S.; Fernandes, P. A.; Ramos, M. J.; Santos, I.; Correia, J. D. G.. "Insights into the structural determinants for selective inhibition of nitric oxide synthase isoforms". Journal of Molecular Modeling 19 4 (2013): 1537-1551. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000316677600007&KeyUID=WOS:000316677600007.
    10.1007/s00894-012-1677-8
  45. Oliveira, Bruno L.; Moreira, Irina S.; Fernandes, Pedro A.; Ramos, Maria J.; Santos, Isabel; Correia, Joao D. G.. "Theoretical studies on the binding of rhenium(I) complexes to inducible nitric oxide synthase". Journal of Molecular Graphics & Modelling 45 (2013): 13-25. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000326849200002&KeyUID=WOS:000326849200002.
    10.1016/j.jmgm.2013.07.007
  46. Pimenta, A. C.; Martins, J. M.; Fernandes, R.; Moreira, I. S.. "Ligand-Induced Structural Changes in TEM-1 Probed by Molecular Dynamics and Relative Binding Free Energy Calculations". Journal of Chemical Information and Modeling 53 10 (2013): 2648-2658. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000326480000014&KeyUID=WOS:000326480000014.
    10.1021/ci400269d
  47. Ribeiro, Joao V.; Cerqueira, Nuno M. F. S. A.; Moreira, Irina S.; Fernandes, Pedro A.; Ramos, Maria Joao. "CompASM: an Amber-VMD alanine scanning mutagenesis plug-in". Theoretical Chemistry Accounts 131 10 (2012): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000309862600005&KeyUID=WOS:000309862600005.
    10.1007/s00214-012-1271-2
  48. Bach, Anders; Stuhr-Hansen, Nicolai; Thorsen, Thor S.; Bork, Nicolai; Moreira, Irina S.; Frydenvang, Karla; Padrah, Shahrokh; et al. "Structure-activity relationships of a small-molecule inhibitor of the PDZ domain of PICK1". Organic & Biomolecular Chemistry 8 19 (2010): 4281-4288. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000282474300015&KeyUID=WOS:000282474300015.
    10.1039/c0ob00025f
  49. Thorsen, Thor S.; Madsen, Kenneth L.; Rebola, Nelson; Rathje, Mette; Anggono, Victor; Bach, Anders; Moreira, Irina S.; et al. "Identification of a small-molecule inhibitor of the PICK1 PDZ domain that inhibits hippocampal LTP and LTD". Proceedings of the National Academy of Sciences of the United States of America 107 1 (2010): 413-418. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000273559200072&KeyUID=WOS:000273559200072.
    10.1073/pnas.0902225107
  50. Moreira, Irina S.; Fernandes, Pedro A.; Ramos, Maria J.. "Protein-Protein Docking Dealing With the Unknown". Journal of Computational Chemistry 31 2 (2010): 317-342. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000273412900008&KeyUID=WOS:000273412900008.
    10.1002/jcc.21276
  51. Moreira, Irina; Ge, Xiaoxia; Madsen, Kenneth L.; Gether, Ulrik; Weinstein, Harel. "Design and Characterization of Small Molecule Inhibitors of the PICK1 PDZ Domain with Binding Free Energy Calculations". Biophysical Journal 98 3, Supplem (2010): 428a-428a.
    http://dx.doi.org/10.1016/j.bpj.2009.12.2319
  52. Han, Yang; Moreira, Irina S.; Urizar, Eneko; Weinstein, Harel; Javitch, Jonathan A.. "Allosteric communication between protomers of dopamine class A GPCR dimers modulates activation". Nature Chemical Biology 5 9 (2009): 688-695. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000269093000018&KeyUID=WOS:000269093000018.
    10.1038/nchembio.199
  53. Moreira, Irina S.; Fernandes, Pedro A.; Ramos, Maria J.. "Protein-protein recognition: a computational mutagenesis study of the MDM2-P53 complex". Theoretical Chemistry Accounts 120 4-6 (2008): 533-542. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000256765900024&KeyUID=WOS:000256765900024.
    10.1007/s00214-008-0432-9
  54. Moreira, I. S.; Fernandes, P. A.; Ramos, M. J.. "Hot spot computational identification: Application to the complex formed between the hen egg white lysozyme (HEL) and the antibody HyHEL-10". International Journal of Quantum Chemistry 107 2 (2007): 299-310. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000242652700006&KeyUID=WOS:000242652700006.
    10.1002/qua.21193
  55. Moreira, Irina S.; Fernandes, Pedro A.; Ramos, Maria J.. "Backbone importance for protein-protein binding". Journal of Chemical Theory and Computation 3 3 (2007): 885-893. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000246282600026&KeyUID=WOS:000246282600026.
    10.1021/ct6003824
  56. Moreira, Irina S.; Fernandes, Pedro A.; Ramos, Maria J.. "Computational alanine scanning mutagenesis - An improved methodological approach". Journal of Computational Chemistry 28 3 (2007): 644-654. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000243762800003&KeyUID=WOS:000243762800003.
    10.1002/jcc.20566
  57. Moreira, Irina S.; Fernandes, Pedro A.; Ramos, Maria J.. "Unravelling Hot Spots: a comprehensive computational mutagenesis study". Theoretical Chemistry Accounts 117 1 (2007): 99-113. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000243262300010&KeyUID=WOS:000243262300010.
    10.1007/s00214-006-0151-z
  58. Moreira, Irina S.; Fernandes, Pedro A.; Ramos, Maria J.. "Hot spot occlusion from bulk water: A comprehensive study of the complex between the lysozyme HEL and the antibody FVD1.3". Journal of Physical Chemistry B 111 10 (2007): 2697-2706. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000244735300037&KeyUID=WOS:000244735300037.
    10.1021/jp067096p
  59. Moreira, Irina S.; Fernandes, Pedro A.; Ramos, Maria J.. "Hot spots-A review of the protein-protein interface determinant amino-acid residues". Proteins-Structure Function and Bioinformatics 68 4 (2007): 803-812. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000249188900001&KeyUID=WOS:000249188900001.
    10.1002/prot.21396
  60. Moreira, Irina Sousa; Fernandes, Pedro Alexandrino; Ramos, Maria Joao. "Vascular endothelial growth factor (VEGF) inhibition - A critical review". Anti-Cancer Agents in Medicinal Chemistry 7 2 (2007): 223-245. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000244009200005&KeyUID=WOS:000244009200005.
  61. Moreira, IS; Fernandes, PA; Ramos, MJ. "Detailed microscopic study of the full ZipA : FtsZ interface". Proteins-Structure Function and Bioinformatics 63 4 (2006): 811-821. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000237863100010&KeyUID=WOS:000237863100010.
    10.1002/prot.20944
  62. Moreira, IS; Fernandes, PA; Ramos, MJ. "Unraveling the importance of protein-protein interaction: Application of a computational alanine-scanning mutagenesis to the study of the IgG1 streptococcal protein G (C2 fragment) complex". Journal of Physical Chemistry B 110 22 (2006): 10962-10969. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000237954000049&KeyUID=WOS:000237954000049.
    10.1021/jp054760d
  63. Moreira, IS; Fernandes, PA; Ramos, MJ. "Accuracy of the numerical solution of the Poisson-Boltzmann equation". Journal of Molecular Structure-Theochem 729 1-2 (2005): 11-18. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000232258200003&KeyUID=WOS:000232258200003.
    10.1016/j.theochem.2004.12.049
  64. Fernandes, P. A.; Carvalho, A. T. P.; Marques, A. T.; Pereira, A. L. F.; Madeira, A. P. S.; Ribeiro, A. S. P.; Carvalho, A. F. R.; et al. "New designs for MRI contrast agents". Journal of Computer-Aided Molecular Design 17 7 (2003): 463-473. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000186335800004&KeyUID=WOS:000186335800004.
    10.1023/A:1027347527385
Capítulo de livro
  1. "Discovery of Virus-Host interactions using bioinformatic tools". Elsevier, 2022.
    10.1016/bs.mcb.2022.02.001
  2. António J. Preto; Pedro Matos-Filipe; José G. de Almeida; Joana Mourão; Irina S. Moreira; Moreira, Irina S. "Predicting Hot Spots Using a Deep Neural Network Approach". In Artificial Neural Networks, 267-288. Estados Unidos: Springer {US, 2021.
    No prelo • 10.1007/978-1-0716-0826-5_13
  3. Rosário-Ferreira, Nicia; Marques, Ana Catarina; Gouveia, Raquel; Mourão, Joana; Moreira, Irina S. "Guardians of the cell: State-of-the-art of membrane proteins from a computational point-of-view". In Computational Design of Membrane Proteins. 2021.
    No prelo
  4. Preto, A.J.; Marques, Ana Catarina; Baptista, Salete J.; Bueschbell, Beatriz; Barreto, Carlos A.V.; Gaspar, AT; Pinheiro, Ian; et al. "Targeting GPCRs via Multi-platforms arrays and AI". In Comprehensive Pharmacology. 2021.
    No prelo
  5. António J. Preto; Matos-Filipe, Pedro; Panagiotis I. Koukos; Pedro Renault; Sousa, Sergio F.; Moreira, Irina S. "Structural Characterization of Membrane Protein Dimers". 2019.
    10.1007/978-1-4939-9161-7_21
  6. António J. Preto; Jose G. Almeida; Joerg Schaarschmidt; Li C. Xue; Moreira, Irina S; Alexandre M.J.J. Bonvin. "Computational Tools for the Structural Characterization of Proteins and Their Complexes from Sequence-Evolutionary Data". 2018.
    10.1002/9780470027318.a9615
  7. Lemos, Agostinho; Melo, Rita; Moreira, Irina S.; Cordeiro, M. Natália D. S.. "Computer-Aided Drug Design Approaches to Study Key Therapeutic Targets in Alzheimer’s Disease". In Computational Modeling of Drugs Against Alzheimer’s Disease, 61-106. Springer New York, 2017.
    10.1007/978-1-4939-7404-7_3
  8. Sensoy, Ozge; Almeida, Jose G.; Shabbir, Javeria; Moreira, Irina S.; Morra, Giulia; Sensoy O; Almeida JG; et al. "Computational studies of G protein-coupled receptor complexes: Structure and dynamics". In G Protein-Coupled Receptors Part A, 205-245. Elsevier, 2017.
    10.1016/bs.mcb.2017.07.011
  9. Moreira, Irina S.; Shi, Lei; Freyberg, Zachary; Ericksen, Spencer S.; Weinstein, Harel; Javitch, Jonathan A.. "Structural Basis of Dopamine Receptor Activation". In The Dopamine Receptors, 47-73. Humana Press, 2009.
    10.1007/978-1-60327-333-6_3
  10. Moreira, IrinaS; Fernandes, PedroA; Ramos, MariaJ. "Computational Determination of the Relative Free Energy of Binding – Application to Alanine Scanning Mutagenesis". editado por Sokalski, W. Andrzej, 305-339. 2007.
    10.1007/1-4020-5372-X_6
Livro
  1. Moreira, Irina S; Machuqueiro, Miguel; Mourão, Joana. Computational Design of Membrane Proteins. 2021.
    No prelo
Pré-impressão
  1. "Microglia remodel the synaptic signaling required for context-dependent cognitive performance". Pré-impressão. 2021. http://dx.doi.org/10.1101/2021.10.18.464802.
    10.1101/2021.10.18.464802
Tese / Dissertação
  1. Irina de Sousa Moreira. "Supervised Classification Applied to Hot-Spot Detection in Protein-Protein Interfaces". Mestrado, 2016. https://repositorio-aberto.up.pt/handle/10216/97647.

Outros

Conjunto de dados
  1. Moreira, Irina S. MENSAdb. http://www.moreiralab.com/resources/mensadb/.
  2. Moreira, Irina S. Dopamine Receptor. http://www.moreiralab.com/resources/dxr/.
  3. Moreira, Irina S. Spotone http://www.moreiralab.com/resources/spotone/.
  4. Moreira, Irina S. OR http://www.moreiralab.com/resources/oor/.
  5. SynPred.
  6. HOOKED.
  7. SicknessMiner.
Outra produção
  1. SynPred: Prediction of Drug Combination Effects in Cancer using Full-Agreement Synergy Metrics and Deep Learning. 2021. António J. Preto; Pedro Matos-Filipe; Joana Mourão; and Irina S. Moreira. https://doi.org/10.20944/preprints202104.0395.v1.
    10.20944/preprints202104.0395.v1
Atividades

Apresentação oral de trabalho

Título da apresentação Nome do evento
Anfitrião (Local do evento)
2021/10 Application of artificial intelligence to structural-functional biology and drug design BioSolveIT Webinars
BioSolveIT (Alemanha)
2021/04 Exploring the GPCR interactome using computational and data-driven approaches European research network in signal transduction Meeting
ERNEST COST ACTION
2019/10 How artificial intelligence and big data can be applied to GPCR functional understanding European research network in signal transduction,
(Belfast, Irlanda)
2019 Structural biology and AI- a new partnership New diagnostic and therapeutic tools against multidrug resistant tumours WG1 meeting
(Vienna)
2019 Artificial intelligence application to structural biology BMBF-BIGS-DrugS Kolloquium/Pharmazeutisches Kolloquium
Bonn University (Alemanha)
2019 How artificial intelligence is changing structural biology National Encounter of Biochemistry Students, Aveiro, Portugal
2019 Artificial intelligence application to drug development
53rd Annual Scientific Meeting of the European society for clinical investigation, Coimbra, Portugal
2019 Structural biology and AI- a new hope Universidade do Minho, Braga, Portugal
2019 Structural biology and AI- a new partnership I Portuguese Biomedical Engineering Summit (BES), Lisbon, Portugal.
2019 Application of artificial intelligence to structural biology Meeting about intelligent strategies for computer chemistry, Coimbra, Portugal.
2017 Characterization of binding interface determinants Netherlands Society of Biomolecular Modeling, Utrecht, Netherlands
2017 Protein-protein interactions: a structural perspective of functionally important mutations EMBO Workshop on Integrating genomics and biophysics to comprehend functional genetic variation, Turin, Italy.
2017 SpotON: a machine learning approach for binding hot-spot determination Biophysical Society Meeting, New Orleans, USA
2015 Structural/energetic analysis of protein-based interactions: highlighting the electrostatics contributions MBI workshop: Multiple Faces of Biomolecular Electrostatics, USA.
2015 Insights into the plasticity and adaptability of protein-protein interfaces 25th Intl. BIOMOS Symposium on Biomolecular Simulation, Ausserberg, Switzerland.
2014 The role of electrostatics in the prediction of binding hot-spots Protein Electrostatics Satellite Meeting, Lisbon, Portugal.
2011 Protein-protein interfacial studies 5th Theoretical Biophysics International Symposium, Funchal, Portugal.
2011 The role of electrostatics in biological systems Modelling Electrostatics in Molecular Biology, Clemson, USA.
2010 Docking studies and molecular dynamics simulations of Re (I) complexes containing L-Arg derivatives for iNOS targeting Medicinal Chemistry Meeting, Coimbra, Portugal.
2006 Computational alanine scanning mutagenesis: application to a wide range of biological systems International School of Physics “E. Fermi”, “Protein Folding and Drug Design”, Varenna, Italy.

Orientação

Título / Tema
Papel desempenhado
Curso (Tipo)
Instituição / Organização
2021 - Atual Artificial intelligence Application to Structural Biology
Orientador
Biochemistry (Licenciatura/Bacharelato)
Universidade de Coimbra, Portugal
2021 - Atual The Interaction between Stargazin and Kv7.2 and its Association with Psychiatric Disorders
Orientador
Doutoramento em Biociencias (Doutoramento)
Universidade de Coimbra, Portugal
2021 - Atual Pluridimensional signaling of GPCR - understanding mutagenesis effect on specific receptorsome selection
Orientador
Doutoramento em Biociencias (Doutoramento)
Universidade de Coimbra, Portugal
2021 - Atual Protein-ligand – a better understanding using AI algorithms
Orientador
Mestrado em Biologia Computacional (Mestrado)
Universidade de Coimbra, Portugal
2021 - Atual Understanding GPCR mediated interactions
Orientador
Master's Degree in Cellular and Molecular Biology (Mestrado)
Universidade de Coimbra, Portugal
2021 - Atual Development of a new method to detect anti-microbial peptides
Orientador
Master´s Degree in Biomedical Research (Mestrado)
Universidade de Coimbra, Portugal
2021 - Atual Predicting cellular OMIC responses through machine learning
Orientador
Master's Degree in Cellular and Molecular Biology
Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2020/10 - Atual Drug-Target Interaction Prediction
Orientador
Mestrado de Bioinformática e Biologia Computacional (Mestrado)
Universidade do Porto Faculdade de Desporto, Portugal
2020/09 - Atual Cutting-Edge Virus-Host Interactome Discovery: A Multi-Omics AI Driven Approach
Orientador
PhD programme in experimental Biology and biomedicine (PhD) (Doutoramento)
Universidade de Coimbra, Portugal
2020 - Atual Characterization of protein-protein interactions involving G-protein coupled receptor 143 by computational and pharmacological methods
Orientador de Beatriz Theresa Ruth Bueschbell
PhD programme in experimental Biology and biomedicine (Doutoramento)
Universidade de Coimbra, Portugal
2019 - Atual Applying computational tools to the study of GPCRs structure and dynamics
Orientador
PhD programme in experimental Biology and biomedicine (Doutoramento)
Universidade de Coimbra, Portugal
2018 - Atual Deep-learning application to in silico drug design
Orientador de António José Preto Martins Gomes
PhD programme in experimental Biology and biomedicine (Doutoramento)
Universidade de Coimbra, Portugal
2017 - Atual Exploring protein-protein and protein-RNA interactions in influenza virus non-structural protein 1 (NS1)
Coorientador de Nicia Filipa Rosario-Ferreira
Chemistry (Doutoramento)
Universidade de Coimbra, Portugal
2020/08 - 2021/11 SARS-CoV-2 characterisation – an in-silico approach
Orientador
Biochemistry (Mestrado)
Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2021 - 2021 In silico application to Omics
Orientador
Biology (Licenciatura/Bacharelato)
Universidade de Coimbra, Portugal
2020/09 - 2021 Sars-Cov-2 membrane protein: from genomic data to structural new insights
Orientador
Bioinformatics and Computational Biology (Mestrado)
Universidade do Porto, Portugal
2019/09 - 2021 Prediction of Cancer Cell Resistance to Therapy
Orientador
Bioinformatics (Mestrado)
Universidade de Trás-os-Montes e Alto Douro, Portugal
2019 - 2021 Decoding Partner Specificity in Opioid Receptor Family
Orientador
Biochemistry Master (Mestrado)
Universidade de Coimbra, Portugal
2019/09 - 2020 The Effects of CACNG2 Mutations in Psychiatric Disorders
Orientador
Cellular and Molecular Biology (Mestrado)
Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2019/02 - 2019/07 Text-mining for the discovery of novel haematological cancer biomarkers
Orientador
Biochemistry (Licenciatura/Bacharelato)
Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2018/09 - 2019/07 A Computational Method to Predict the Combinatory Effect of Drugs in Cancer
Orientador
Pharmaceutical Biotechnology (Mestrado)
Universidade de Coimbra Faculdade de Farmácia, Portugal
2017/09 - 2018/07 Applying computational tools to the study of GPCRs structure and dynamics
Orientador de Carlos André Viegas Barreto
Cellular and Molecular Biology (Mestrado)
Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2016/09 - 2017/09 A bioinformatics approach for the understanding of membrane protein complexes
Orientador
Biochemistry (Mestrado)
Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2016/09 - 2017/09 Computational methods for the understanding of protein-based interactions
Orientador
Cellular and Molecular Biology (Mestrado)
Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2012/09 - 2013/07 Study of protein-nucleic acid complexes
Coorientador
Chemistry (Mestrado)
Universidade do Porto Faculdade de Ciências, Portugal
2011/09 - 2012/07 Determinação computacional dos efeitos da mutagénese em interfaces proteína- dna
Coorientador
Biochemistry (Mestrado)
Universidade do Porto Faculdade de Ciências, Portugal
2011/09 - 2012 Biochemical and structural characterization of b-lactamases TEM-180 and TEM-201
Orientador
Biochemical Health Technology (Mestrado)
Instituto Politécnico do Porto Escola Superior de Saúde, Portugal

Organização de evento

Nome do evento
Tipo de evento (Tipo de participação)
Instituição / Organização
2013 - Atual MEETING OF YOUNG RESEARCHERS IN STRUCTURAL COMPUTATIONAL BIOLOGY The Meeting of Young Researchers in Structural Computational Biology (EJIBCE) aims at bringing together the Portuguese scientific community working in the field in a free-of-charge meeting, to provide a forum for discussion and sharing with no strings attached. (2013 - 2020)
Conferência (Presidente da Comissão Organizadora)
2021 - 2021 GROMACS Workshop - https://www.eventbrite.pt/e/bilhetes-gromacs-workshop-162032753327 (2021 - 2021)
Oficina (workshop) (Coorganizador)
Universidade de Coimbra, Portugal
2016 - 2021 Scientific Committee of MOL2NET, International Conference of Multidisciplinary Sciences. (2016 - 2021)
Conferência

Arbitragem científica em revista

Nome da revista (ISSN) Editora
2020 - Atual International Journal of Molecular Sciences Topics Editor (1422-0067) MDPI AG
2020 - Atual Biochem - Editorial Board Member MDPI
2021 - 2022 Frontiers in Pharmacology
2019 - 2021 Methods in Molecular Biology Invited Editor Springer
2017 - 2019 Molecules Invited Editor (1420-3049) MDPI AG
2017 - 2018 Current Topics of Medicinal Chemistry Invited Editor

Curso / Disciplina lecionado

Disciplina Curso (Tipo) Instituição / Organização
2022 - Atual Molecular systems biology Masters in Computational Biology (Mestrado) Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2022 - Atual Computational drug discovery Masters in Computational Biology Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2020/02 - Atual Introduction to Structural Biochemistry Biochemistry (Licenciatura) Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2020 - Atual Applied Omics Computational Biology (Mestrado) Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2020 - Atual Biological Data Analysis Computational Biology (Mestrado) Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2020 - Atual Biochemistry Chemistry (Licenciatura) Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2019/09 - Atual Biochemistry of Proteins, Nucleic Acids and Lipids Biochemistry (Licenciatura) Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2017 - Atual Computational biology (Doutoramento) Universidade de Coimbra Centro de Neurociências e Biologia Celular, Portugal
2019/09 - 2020/02 Introduction to Biology Biochemistry (Licenciatura) Universidade de Coimbra Departamento de Ciências da Vida, Portugal
2018 - 2018 Invited lecturer at Infection course of the BEB PhD programme (Doutoramento)
2018 - 2018 Invited lecturer at Therapeutics course of the BEB PhD programme (Doutoramento)
2018 - 2018 Computational Analysis of Proteomes and Genomes Class of Biostatistics and Bioinformatics applied to Health Master Program - Polytechnic Institute of Porto, Portugal (Mestrado)

Entrevista (jornal / revista)

Descrição da atividade Jornal / Forum
2022/05/05 Cientistas de Coimbra descobrem alterações cognitivas provocadas por variante genética Expresso
2022/03/15 Study models SARS-CoV-2 M protein monomer and dimer 3D structures news-medical.net
2022/02/01 Eurocc.FCCN case studies publication FCCN
2021/10/27 Projeto sobre doenças neurológicas vence prémio da Agência Nacional de Inovação Observador
2021 mRNA Núcleo de Estudantes de Bioquímica Interview RNA Mensageiro Magazine from Biochemistry Students @UC
2020/11/05 Cientistas usam dados e inteligência artificial para combater pandemia RTP Online
2020/11/05 Covid-19: Cientistas usam dados e inteligência artificial para combater pandemia Visao
2020/11/05 Cientistas da Universidade de Coimbra usam dados e inteligência artificial para combater pandemia Observador
2020/09/15 Universidade de Coimbra recebe 782 mil euros para estudo sobre epilepsia RTP

Membro de comissão

Descrição da atividade
Tipo de participação
Instituição / Organização
2020/09 - Atual Master in Computational Biology
Coordenador
Universidade de Coimbra Departamento de Ciências da Vida, Portugal
Distinções

Prémio

2021 Born from Knowledge 2021 "Health and Wellbeing"
Agência Nacional de Inovação SA, Portugal
2014 Committee for Professional Opportunities for Women Travel Award
2008 Luso-American Foundation Network Grant (FLAD)
Fundação Luso-Americana, Portugal
2003 Eng. António de Almeida's Prize - For the top-ranking student in the Biochemistry Degree.
2003 PhD Fellowship
Fundação para a Ciência e a Tecnologia, Portugal
1998 Excellence Prize - For the top-ranking student in the Secondary School.

Outra distinção

2022 Selected for HiTech 2022 program
2019 Assistant Professor at Data Science/Computer Science Department of Science and technology Faculty of University of Coimbra; tenure-track position attained in an international competitive call; declined in favor of similar position at Life Sciences Dep
2019 Scientific Employment Stimulus Position CEECIND/03938/2018 - Assistant Professor - attained in an international highly competitive FCT call; declined in favor of assistant professor position at Life Sciences Department
Fundação para a Ciência e a Tecnologia, Portugal
2018 Interview Stage ERC starting grant - LS7 pannel
European Research Council, Bélgica
2015 Marie Sklodowska-Curie Individual Fellowship MSCA-IF-2015 (MEMBRANEPROT 659826)
European Commission, Bélgica
2015 FCT Individual Postdoctoral Fellowship SFRH/BPD/104128/2014 - declined
Fundação para a Ciência e a Tecnologia, Portugal
2006 MGMS Registration Fellowship - Quantum Pharmacology - 30 years on, Oxford, UK
2006 NBCR Summer Institute Travel and Registration Fellowship - NBCR Summer Institute: Cyberinfrastructure & Multiscale Modeling Approaches”, La Jolla, California
2006 Marie Curie Travel and Registration Fellowship - CCP5 and Marie Curie Actions: Methods in Molecular Simulation Summer School 2006”, University of Cardiff, Wales.
2006 Italian Physical Society Scholarship - International School of Physics “E. Fermi”, “Protein Folding and Drug Design”, Varenna, Italy.
2006 EMBO Fellowship – “Biomolecular simulation - an EMBO course”, Paris, France.