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Ariane Nunes Alves
Ariane Nunes Alves
Junior Group Leader, Technische Universität Berlin
tu-berlin.de üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
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
4182021
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
732020
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
692022
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
572018
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
542021
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
432021
Advances in computational methods for ligand binding kinetics
F Sohraby, A Nunes-Alves
Trends in Biochemical Sciences, 2023
342023
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
302023
Ligand–Receptor Affinities Computed by an Adapted Linear Interaction Model for Continuum Electrostatics and by Protein Conformational Averaging
A Nunes-Alves, GM Arantes
Journal of chemical information and modeling 54 (8), 2309-2319, 2014
222014
Mechanical unfolding of macromolecules coupled to bond dissociation
A Nunes-Alves, GM Arantes
Journal of chemical theory and computation 14 (1), 282-290, 2018
212018
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
202021
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
172021
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
142020
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
112022
Myotubularin-related protein 7 activates peroxisome proliferator-activated receptor-gamma
P Weidner, M Söhn, T Schroeder, L Helm, V Hauber, T Gutting, J Betge, ...
Oncogenesis 9 (6), 1-14, 2020
112020
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
102023
AlphaFold2 in Molecular Discovery
A Nunes-Alves, K Merz
Journal of Chemical Information and Modeling 63 (19), 5947-5949, 2023
82023
Tobacco nitrosamine N-nitrosonornicotine as inhibitor of neuronal nicotinic acetylcholine receptors
A Nunes-Alves, AA Nery, H Ulrich
Journal of Molecular Neuroscience 49 (1), 52-61, 2013
82013
Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry
A Mazzolari, A Nunes-Alves, HA Wahab, RE Amaro, Z Cournia, ...
Journal of Chemical Information and Modeling 60 (7), 3328-3330, 2020
62020
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
52023
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