A comparative study of biocatalysis in non-conventional solvents: Ionic liquids, supercritical fluids and organic media S Garcia, NMT Lourenço, D Lousa, AF Sequeira, P Mimoso, JMS Cabral, ... Green Chemistry 6 (9), 466-470, 2004 | 110 | 2004 |
Signatures in SARS-CoV-2 spike protein conferring escape to neutralizing antibodies M Alenquer, F Ferreira, D Lousa, M Valério, M Medina-Lopes, ... PLoS pathogens 17 (8), e1009772, 2021 | 83 | 2021 |
A molecular perspective on nonaqueous biocatalysis: contributions from simulation studies D Lousa, AM Baptista, CM Soares Physical Chemistry Chemical Physics 15 (33), 13723-13736, 2013 | 58 | 2013 |
New targets for drug design: importance of nsp14/nsp10 complex formation for the 3’‐5’exoribonucleolytic activity on SARS‐CoV‐2 M Saramago, C Bárria, VG Costa, CS Souza, SC Viegas, S Domingues, ... The FEBS journal 288 (17), 5130-5147, 2021 | 56 | 2021 |
Analyzing the molecular basis of enzyme stability in ethanol/water mixtures using molecular dynamics simulations D Lousa, AM Baptista, CM Soares Journal of chemical information and modeling 52 (2), 465-473, 2012 | 49 | 2012 |
Self-assembly molecular dynamics simulations shed light into the interaction of the influenza fusion peptide with a membrane bilayer BL Victor, D Lousa, JM Antunes, CM Soares Journal of chemical information and modeling 55 (4), 795-805, 2015 | 34 | 2015 |
Predicting the thermodynamics and kinetics of helix formation in a cyclic peptide model JM Damas, LCS Filipe, SRR Campos, D Lousa, BL Victor, AM Baptista, ... Journal of chemical theory and computation 9 (11), 5148-5157, 2013 | 34 | 2013 |
An electrogenic redox loop in sulfate reduction reveals a likely widespread mechanism of energy conservation AG Duarte, T Catarino, GF White, D Lousa, S Neukirchen, CM Soares, ... Nature Communications 9 (1), 5448, 2018 | 29 | 2018 |
Structural and functional characterization of an ancient bacterial transglutaminase sheds light on the minimal requirements for protein cross-linking CG Fernandes, D Placido, D Lousa, JA Brito, A Isidro, CM Soares, J Pohl, ... Biochemistry 54 (37), 5723-5734, 2015 | 27 | 2015 |
A LysM Domain Intervenes in Sequential Protein-Protein and Protein-Peptidoglycan Interactions Important for Spore Coat Assembly in Bacillus subtilis FC Pereira, F Nunes, F Cruz, C Fernandes, AL Isidro, D Lousa, ... Journal of Bacteriology 201 (4), 10.1128/jb. 00642-18, 2019 | 24 | 2019 |
AOX1-Subfamily Gene Members in Olea europaea cv. “Galega Vulgar”—Gene Characterization and Expression of Transcripts during IBA-Induced in Vitro … I Velada, D Grzebelus, D Lousa, C M. Soares, E Santos Macedo, A Peixe, ... International Journal of Molecular Sciences 19 (2), 597, 2018 | 24 | 2018 |
Structural determinants of ligand imprinting: A molecular dynamics simulation study of subtilisin in aqueous and apolar solvents D Lousa, AM Baptista, CM Soares Protein Science 20 (2), 379-386, 2011 | 18 | 2011 |
Crossing the Wall: Characterization of the Multiheme Cytochromes Involved in the Extracellular Electron Transfer Pathway of Thermincola ferriacetica MM Faustino, BM Fonseca, NL Costa, D Lousa, RO Louro, CM Paquete Microorganisms 9 (2), 293, 2021 | 16 | 2021 |
Effect of pH on the influenza fusion peptide properties unveiled by constant-pH molecular dynamics simulations combined with experiment D Lousa, ART Pinto, SRR Campos, AM Baptista, AS Veiga, ... Scientific reports 10 (1), 20082, 2020 | 16 | 2020 |
ProPythia: a Python package for protein classification based on machine and deep learning AM Sequeira, D Lousa, M Rocha Neurocomputing 484, 172-182, 2022 | 14 | 2022 |
The nsp15 nuclease as a good target to combat SARS-CoV-2: mechanism of action and its inactivation with FDA-approved drugs M Saramago, VG Costa, CS Souza, C Bárria, S Domingues, SC Viegas, ... Microorganisms 10 (2), 342, 2022 | 14 | 2022 |
Study of the interactions of bovine serum albumin with a molybdenum (II) carbonyl complex by spectroscopic and molecular simulation methods HF Jeremias, D Lousa, A Hollmann, AC Coelho, CS Baltazar, JD Seixas, ... PLoS One 13 (9), e0204624, 2018 | 14 | 2018 |
Interaction of counterions with subtilisin in acetonitrile: insights from molecular dynamics simulations D Lousa, M Cianci, JR Helliwell, PJ Halling, AM Baptista, CM Soares The Journal of Physical Chemistry B 116 (20), 5838-5848, 2012 | 13 | 2012 |
Structural and functional impact of clinically relevant E1α variants causing pyruvate dehydrogenase complex deficiency H Pavlu-Pereira, D Lousa, CS Tomé, C Florindo, MJ Silva, IT de Almeida, ... Biochimie 183, 78-88, 2021 | 12 | 2021 |
Insights into the structure of the diiron site of RIC from Escherichia coli LS Nobre, D Lousa, I Pacheco, CM Soares, M Teixeira, LM Saraiva FEBS letters 589 (4), 426-431, 2015 | 12 | 2015 |