| Infrared Spectroscopy of Mobility-Selected H+-Gly-Pro-Gly-Gly (GPGG) A Masson, MZ Kamrath, MAS Perez, MS Glover, U Rothlisberger, ... Journal of the American Society for Mass Spectrometry 26 (9), 1444-1454, 2015 | 77 | 2015 |
| Computational alanine scanning mutagenesis: MM-PBSA vs TI SA Martins, MAS Perez, IS Moreira, SF Sousa, MJ Ramos, PA Fernandes Journal of chemical theory and computation 9 (3), 1311-1319, 2013 | 75 | 2013 |
| Accuracy of density functionals in the prediction of electronic proton affinities of amino acid side chains NF Bras, MAS Perez, PA Fernandes, PJ Silva, MJ Ramos Journal of Chemical Theory and Computation 7 (12), 3898-3908, 2011 | 50 | 2011 |
| Establishing the catalytic mechanism of human pancreatic α-amylase with QM/MM methods GP Pinto, NF Bras, MAS Perez, PA Fernandes, N Russo, MJ Ramos, ... Journal of chemical theory and computation 11 (6), 2508-2516, 2015 | 45 | 2015 |
| Substrate recognition in HIV-1 protease: a computational study MAS Perez, PA Fernandes, MJ Ramos The Journal of Physical Chemistry B 114 (7), 2525-2532, 2010 | 38 | 2010 |
| Genetic algorithm based design and experimental characterization of a highly thermostable metalloprotein E Bozkurt, MAS Perez, R Hovius, NJ Browning, U Rothlisberger Journal of the American Chemical Society 140 (13), 4517-4521, 2018 | 24 | 2018 |
| Drug design: new inhibitors for HIV-1 protease based on Nelfinavir as lead MAS Perez, PA Fernandes, MJ Ramos Journal of Molecular Graphics and Modelling 26 (3), 634-642, 2007 | 23 | 2007 |
| Ribonucleotide reductase: a mechanistic portrait of substrate analogues inhibitors MAS Perez, N Cerqueira, PA Fernandes, MJ Ramos Current medicinal chemistry 17 (26), 2854-2872, 2010 | 19 | 2010 |
| Understanding the Mechanism for Ribonucleotide Reductase Inactivation by 2′-Deoxy-2′-methylenecytidine-5′-diphosphate MAS Perez, PA Fernandes, MJ Ramos Journal of Chemical Theory and Computation 6 (9), 2770-2781, 2010 | 9 | 2010 |
| Genetic‐Algorithm‐Based Optimization of a Peptidic Scaffold for Sequestration and Hydration of CO2 E Brunk, MAS Perez, P Athri, U Rothlisberger ChemPhysChem 17 (23), 3831-3835, 2016 | 8 | 2016 |
| Cryogenic spectroscopy and quantum molecular dynamics determine the structure of cyclic intermediates involved in peptide sequence scrambling O Aseev, MAS Perez, U Rothlisberger, TR Rizzo The journal of physical chemistry letters 6 (13), 2524-2529, 2015 | 8 | 2015 |
| Detection of farnesyltransferase interface hot spots through computational alanine scanning mutagenesis MAS Perez, SF Sousa, EFT Oliveira, PA Fernandes, MJ Ramos The Journal of Physical Chemistry B 115 (51), 15339-15354, 2011 | 7 | 2011 |
| Improving the study of proton transfers between amino acid side chains in solution: choosing appropriate DFT functionals and avoiding hidden pitfalls PJ Silva, MAS Perez, NF Brás, PA Fernandes, MJ Ramos Theoretical Chemistry Accounts 131, 1-6, 2012 | 6 | 2012 |
| Lessons from nature: computational design of biomimetic compounds and processes E Bozkurt, N Ashari, N Browning, E Brunk, P Campomanesa, MAS Perez, ... Chimia 68 (9), 642-642, 2014 | 5 | 2014 |
| The extracellular subunit interface of the 5-HT3 receptors: a computational alanine scanning mutagenesis study F De Rienzo, AJ Moura Barbosa, MAS Perez, PA Fernandes, MJ Ramos, ... Journal of Biomolecular Structure and Dynamics 30 (3), 280-298, 2012 | 5 | 2012 |
| Lead Optimisation: Improving the Affinity of the Antiretrovirals Nelfinavir and Amprenavir for HIV-1 Protease PA Fernandes, M Araújo, AJM Barbosa, CN Alves, ZQ Ferreira, ... Letters in Drug Design & Discovery 3 (6), 383-389, 2006 | 1 | 2006 |
| Computational proteomics: from methodological developments to biological applications IS Moreira, NF Bras, ATP Carvalho, NM Cerqueira, DF Dourado, ... Imprensa da Universidade de Coimbra, 2011 | | 2011 |
| Recent Advances on Computational Proteomics SF Sousa, NM Cerqueira, MAS Perez, IS Moreira, AJM Ribeiro, ... International Journal of Biomedical and Biological Engineering 3 (8), 404-414, 2009 | | 2009 |
Sergio F. SousaBioSIM, Universidade do Porto在 med.up.pt 的电子邮件经过验证
