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Ana Sofia Fernandes Oliveira
Ana Sofia Fernandes Oliveira
School of Biochemistry & Center for Computational Chemistry, University of Bristol, UK
Verified email at bristol.ac.uk - Homepage
Title
Cited by
Cited by
Year
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
1142005
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
1092005
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
752011
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
612011
# 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
522023
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
452021
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
432021
Unlocking Nicotinic Selectivity via Direct C‒H Functionalization of (−)-Cytisine
HR Campello, SG Del Villar, A Honraedt, T Minguez, ASF Oliveira, ...
Chem, inpress, 2018
382018
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
382011
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
382010
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
322021
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
272017
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
272014
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
262005
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
262005
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
252016
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
232022
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
232020
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
232019
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
222021
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