| Hydrogenases in Desulfovibrio vulgaris Hildenborough: structural and physiologic characterisation of the membrane-bound [NiFeSe] hydrogenase FMA Valente, ASF Oliveira, N Gnadt, I Pacheco, AV Coelho, AV Xavier, ... JBIC Journal of Biological Inorganic Chemistry 10, 667-682, 2005 | 114 | 2005 |
| On the Use of Different Dielectric Constants for Computing Individual and Pairwise Terms in Poisson− Boltzmann Studies of Protein Ionization Equilibrium VH Teixeira, CA Cunha, M Machuqueiro, ASF Oliveira, BL Victor, ... The journal of physical chemistry B 109 (30), 14691-14706, 2005 | 110 | 2005 |
| Conformational changes induced by ATP‐hydrolysis in an ABC transporter: A molecular dynamics study of the Sav1866 exporter AS Oliveira, AM Baptista, CM Soares Proteins: Structure, Function, and Bioinformatics 79 (6), 1977-1990, 2011 | 75 | 2011 |
| Structural consequences of ATP hydrolysis on the ABC transporter NBD dimer: molecular dynamics studies of HlyB JM Damas, ASF Oliveira, AM Baptista, CM Soares Protein Science 20 (7), 1220-1230, 2011 | 61 | 2011 |
| # COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol A Dommer, L Casalino, F Kearns, M Rosenfeld, N Wauer, SH Ahn, ... The international journal of high performance computing applications 37 (1 …, 2023 | 57 | 2023 |
| Allosteric communication in class A β-lactamases occurs via cooperative coupling of loop dynamics I Galdadas, S Qu, Oliveira, ASF, E Olehnovics, AR Mack, MF Mojica, ... eLife 1, 2021 | 45 | 2021 |
| A potential interaction between the SARS-CoV-2 spike protein and nicotinic acetylcholine receptors ASF Oliveira, AA Ibarra, I Bermudez, L Casalino, Z Gaieb, DK Shoemark, ... Biophys Journal 120, 983–993, 2021 | 45 | 2021 |
| Unlocking Nicotinic Selectivity via Direct C‒H Functionalization of (−)-Cytisine HR Campello, SG Del Villar, A Honraedt, T Minguez, ASF Oliveira, ... Chem, inpress, 2018 | 38 | 2018 |
| Inter-domain Communication Mechanisms in an ABC Importer: A Molecular Dynamics Study of the MalFGK2E Complex ASF Oliveira, AM Baptista, CM Soares PLoS computational biology 7 (8), e1002128, 2011 | 38 | 2011 |
| Insights into the molecular mechanism of an ABC transporter: conformational changes in the NBD dimer of MJ0796 ASF Oliveira, AM Baptista, CM Soares The Journal of Physical Chemistry B 114 (16), 5486-5496, 2010 | 38 | 2010 |
| Molecular dynamics simulations support the hypothesis that the brGDGT paleothermometer is based on homeoviscous adaptation BDA Naafs, ASF Oliveira, AJ Mulholland Geochimica et Cosmochimica Acta 312, 44-56, 2021 | 34 | 2021 |
| Structural and Functional insights into the catalytic mechanism of the Type II NADH:quinone oxidoreductase family BC Marreiros, FV Sena, FM Sousa, ASF Oliveira, CM Soares, AP Batista, ... Scientific Reports 7 (42303), 1-13, 2017 | 28 | 2017 |
| Exploring O2 Diffusion in A-Type Cytochrome c Oxidases: Molecular Dynamics Simulations Uncover Two Alternative Channels towards the Binuclear Site ASF Oliveira, JM Damas, AM Baptista, CM Soares PLoS computational biology 10 (12), e1004010, 2014 | 27 | 2014 |
| F.; Victor, BL; Soares, CM; Baptista, AM On the Use of Different Dielectric Constants for Computing Individual and Pairwise Terms in Poisson-Boltzmann Studies of Protein … VH Teixeira, CA Cunha, M Machuqueiro, AS Oliveira J. Phys. Chem. B 109 (30), 14691-14706, 2005 | 27 | 2005 |
| Reorganization and conformational changes in the reduction of tetraheme cytochromes ASF Oliveira, VH Teixeira, AM Baptista, CM Soares Biophysical journal 89 (6), 3919-3930, 2005 | 26 | 2005 |
| Coupling between protonation and conformation in cytochrome c oxidase: Insights from constant-pH MD simulations ASF Oliveira, SRR Campos, AM Baptista, CM Soares Biochimica et Biophysica Acta (BBA)-Bioenergetics 1857 (6), 759-771, 2016 | 25 | 2016 |
| Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2 K Gupta, C Toelzer, MK Williamson, DK Shoemark, ASF Oliveira, ... Nature communications 13 (1), 222, 2022 | 23 | 2022 |
| Simulations support the interaction of the SARS-CoV-2 spike protein with nicotinic acetylcholine receptors ASF Oliveira, AA Amaurys, I Bermudez, C Lorenzo, G Zied, DK Shoemark, ... bioRxiv, 2020 | 23 | 2020 |
| Identification of the Initial Steps in Signal Transduction in the α4β2 Nicotinic Receptor: Insights from Equilibrium and Nonequilibrium Simulations ASF Oliveira, DK Shoemark, HR Campello, S Wonnacott, T Gallagher, ... Structure 27 (7), 1171-1183.e3, 2019 | 23 | 2019 |
| Dynamical nonequilibrium molecular dynamics reveals the structural basis for allostery and signal propagation in biomolecular systems ASF Oliveira, G Ciccotti, S Haider, AJ Mulholland The European Physical Journal B 94, 1-12, 2021 | 22 | 2021 |
Adrian MulhollandProfessor of Chemistry, University of BristolVerified email at bristol.ac.uk
