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Ariane Nunes‐Alves

Observed names: Alves, Ariane Nunes, Ariane Ferreira Nunes Alves, Ariane N Alves, Ariane Nunes Alves, Ariane Nunes- Alves, Ariane Nunes-Alves, Nunes Alves, Ariane, Nunes-Alves, Ariane
Observed institutions: German Cancer Research Center, Universidade de São Paulo, Heidelberg University, DKFZ-ZMBH Alliance, Brazilian Center for Research in Energy and Materials, Brazilian Biosciences National Laboratory, Technische Universität Berlin, Heidelberg Institute for Theoretical Studies, Universidade Federal de São Paulo
ORCID: 0000-0002-5488-4732
Observed ORCID: 0000-0002-5488-4732
OpenAlex ID: A5062208541
Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development
2020 · Outi M. H. Salo-Ahen, Ida Alanko, et al. · Processes · 735
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The (Re)-Evolution of Quantitative Structure–Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods
2022 · Thereza A. Soares, Ariane Nunes-Alves, et al. · Journal of Chemical Information and Modeling · 148
Recent progress in molecular simulation methods for drug binding kinetics
2020 · Ariane Nunes-Alves, Daria B Kokh, et al. · Current Opinion in Structural Biology · 88
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Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2
2021 · Benedict-Tilman Berger, Marta Amaral, et al. · Cell chemical biology · 79
Advances in computational methods for ligand binding kinetics
2022 · Farzin Sohraby, Ariane Nunes-Alves · Trends in Biochemical Sciences · 66
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Molecular characterization of AIFM2/FSP1 inhibition by iFSP1-like molecules
2023 · Thamara Nishida Xavier da Silva, Clemens Schulte, et al. · Cell Death and Disease · 62
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Escape of a Small Molecule from Inside T4 Lysozyme by Multiple Pathways
2018 · Ariane Nunes-Alves, Daniel M. Zuckerman, et al. · Biophysical Journal · 59
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Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations
2021 · Ariane Nunes-Alves, Daria B. Kokh, et al. · Current Research in Structural Biology · 58
Diffusion of small molecule drugs is affected by surface interactions and crowder proteins
2022 · Debabrata Dey, Ariane Nunes-Alves, et al. · iScience · 33
Line-FRAP, A Versatile Method to Measure Diffusion Rates In Vitro and In Vivo
2021 · Debabrata Dey, Shir Marciano, et al. · Journal of Molecular Biology · 27
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Prediction of the Drug–Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis
2021 · Ariane Nunes Alves, Fabian Ormersbach, et al. · Journal of Chemical Information and Modeling · 25
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AlphaFold2 in Molecular Discovery
2023 · Ariane Nunes-Alves, Kenneth Merz · Journal of Chemical Information and Modeling · 24
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Ligand–Receptor Affinities Computed by an Adapted Linear Interaction Model for Continuum Electrostatics and by Protein Conformational Averaging
2014 · Ariane Nunes-Alves, Guilherme Menegon Arantes · Journal of Chemical Information and Modeling · 24
Recent Progress in Modeling and Simulation of Biomolecular Crowding and Condensation Inside Cells
2024 · Apoorva Mathur, Rikhia Ghosh, et al. · Journal of Chemical Information and Modeling · 22
4-Hydroxynonenal impairs miRNA maturation in heart failure via Dicer post-translational modification
2023 · Ligia A Kiyuna, Darlan S Candido, et al. · European Heart Journal · 21
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Riboflavin metabolism shapes FSP1-driven ferroptosis resistance
2026 · Vera Skafar, Izadora de Souza, et al. · Nature Cell Biology · 20
Mechanical Unfolding of Macromolecules Coupled to Bond Dissociation
2017 · Ariane Nunes-Alves, Guilherme Menegon Arantes · Journal of Chemical Theory and Computation · 20
A community effort in SARS‐CoV‐2 drug discovery
2023 · Johannes Schimunek, Philipp Seidl, et al. · Molecular Informatics · 18
Structural characterization of an Arf dimer interface: molecular mechanism of Arf‐dependent membrane scission
2020 · Petra Diestelkoetter‐Bachert, Rainer Beck, et al. · FEBS Letters · 16
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Myotubularin-related protein 7 activates peroxisome proliferator-activated receptor-gamma
2020 · Philip Weidner, Michaela Söhn, et al. · Oncogenesis · 15
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Computational screening of the effects of mutations on protein-protein off-rates and dissociation mechanisms by τRAMD
2024 · Giulia D’Arrigo, Daria B. Kokh, et al. · Communications Biology · 14
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The Non-phosphorylating Glyceraldehyde-3-Phosphate Dehydrogenase GapN Is a Potential New Drug Target in Streptococcus pyogenes
2022 · Philip Eisenberg, Leon Albert, et al. · Frontiers in Microbiology · 11
EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning
2024 · Ganna Gryn’ova, Tristan Bereau, et al. · Journal of Chemical Information and Modeling · 10
pH-dependence of the Plasmodium falciparum chloroquine resistance transporter is linked to the transport cycle
2023 · Fiona Berger, Guillermo M. Gomez, et al. · Nature Communications · 10
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Characterization of the Bottlenecks and Pathways for Inhibitor Dissociation from [NiFe] Hydrogenase
2024 · Farzin Sohraby, Ariane Nunes-Alves · Journal of Chemical Information and Modeling · 7
Works count: 75
Citation count: 1,690
H-index: 18
I10-index: 25
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