Articles with public access mandates - Ariane Nunes AlvesLearn more
Not available anywhere: 3
Advances in computational methods for ligand binding kinetics
F Sohraby, A Nunes-Alves
Trends in Biochemical Sciences, 2023
Mandates: German Research Foundation
Line-FRAP, a versatile method to measure diffusion rates in vitro and in vivo
D Dey, S Marciano, A Nunes-Alves, V Kiss, RC Wade, G Schreiber
Journal of Molecular Biology 433 (9), 166898, 2021
Mandates: US National Science Foundation
A Protocol to Use Comparative Binding Energy Analysis to Estimate Drug-Target Residence Time.
GK Ganotra, A Nunes-Alves, RC Wade
Methods in Molecular Biology (Clifton, NJ) 2266, 171-186, 2021
Mandates: European Commission
Available somewhere: 15
Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development
OMH Salo-Ahen, I Alanko, R Bhadane, AMJJ Bonvin, RV Honorato, ...
Processes 9 (1), 71, 2021
Mandates: Academy of Finland, European Commission, Vinnova, Sweden, Nordforsk
Recent progress in molecular simulation methods for drug binding kinetics
A Nunes-Alves, DB Kokh, RC Wade
Current Opinion in Structural Biology 64, 126-133, 2020
Mandates: European Commission
Escape of a Small Molecule from Inside T4 Lysozyme by Multiple Pathways
A Nunes-Alves, DM Zuckerman, GM Arantes
Biophysical journal 114 (5), 1058-1066, 2018
Mandates: US National Institutes of Health
Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2
BT Berger, M Amaral, DB Kokh, A Nunes-Alves, D Musil, T Heinrich, ...
Cell Chemical Biology, 2021
Mandates: Genome Canada, German Research Foundation, Wellcome Trust, European Commission
The (Re)-Evolution of Quantitative Structure–Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods
TA Soares, A Nunes-Alves, A Mazzolari, F Ruggiu, GW Wei, K Merz
Journal of Chemical Information and Modeling 62 (22), 5317-5320, 2022
Mandates: Fundação de Amparo à Pesquisa do Estado de São Paulo, German Research Foundation
Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations
A Nunes-Alves, DB Kokh, RC Wade
Current Research in Structural Biology 3, 106-111, 2021
Mandates: European Commission
Molecular characterization of AIFM2/FSP1 inhibition by iFSP1-like molecules
TN Xavier da Silva, C Schulte, A Nunes-Alves, HM Maric, ...
Cell Death & Disease 14 (4), 281, 2023
Mandates: German Research Foundation
Prediction of the Drug–Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis
A Nunes-Alves, F Ormersbach, RC Wade
Journal of Chemical Information and Modeling 61 (7), 3708-3721, 2021
Mandates: German Research Foundation
Structural characterization of an Arf dimer interface: Molecular mechanism of Arf‐dependent membrane scission
P Diestelkoetter‐Bachert, R Beck, I Reckmann, A Hellwig, A Garcia‐Saez, ...
FEBS Letters, 2020
Mandates: German Research Foundation
A community effort in SARS‐CoV‐2 drug discovery
J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ...
Molecular Informatics, 2023
Mandates: AXA Research Fund, France
Diffusion of small molecule drugs is affected by surface interactions and crowder proteins
D Dey, A Nunes-Alves, RC Wade, G Schreiber
Iscience 25 (10), 105088, 2022
Mandates: German Research Foundation, European Commission
pH-dependence of the Plasmodium falciparum chloroquine resistance transporter is linked to the transport cycle
F Berger, GM Gomez, CP Sanchez, B Posch, G Planelles, F Sohraby, ...
Nature Communications 14 (1), 1-16, 2023
Mandates: German Research Foundation
The non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase GapN is a potential new drug target in Streptococcus pyogenes
P Eisenberg, L Albert, J Teuffel, E Zitzow, C Michaelis, J Jarick, C Sehlke, ...
Frontiers in Microbiology, 166, 2022
Mandates: Federal Ministry of Education and Research, Germany
Computational screening of the effects of mutations on protein-protein off-rates and dissociation mechanisms by τRAMD
G D'Arrigo, DB Kokh, A Nunes-Alves, RC Wade
bioRxiv, 2024.03. 12.584688, 2024
Mandates: European Commission
Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning
G Gryn’ova, T Bereau, C Müller, P Friederich, RC Wade, A Nunes-Alves, ...
Journal of Chemical Information and Modeling 64 (15), 5737-5738, 2024
Mandates: European Commission
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