Ariane Nunes-Alves

According to our database, Ariane Nunes-Alves authored at least 12 papers between 2014 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Agonists and Antagonists Show Different Unbinding Paths from the TLR8 Receptor.

Valerij Talagayev, Gerhard Wolber, Ariane Nunes-Alves

J. Chem. Inf. Model., 2025

PathInHydro, a Set of Machine Learning Models to Identify Unbinding Pathways of Gas Molecules in [NiFe] Hydrogenases.

Farzin Sohraby, Jing-Yao Guo, Ariane Nunes-Alves

J. Chem. Inf. Model., 2025

2024

Characterization of the Bottlenecks and Pathways for Inhibitor Dissociation from [NiFe] Hydrogenase.

Farzin Sohraby, Ariane Nunes-Alves

J. Chem. Inf. Model., 2024

Recent Progress in Modeling and Simulation of Biomolecular Crowding and Condensation Inside Cells.

Apoorva Mathur, Rikhia Ghosh, Ariane Nunes-Alves

J. Chem. Inf. Model., 2024

EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning.

Ganna Gryn'ova, Tristan Bereau, Carolin Müller, Pascal Friederich, Rebecca C. Wade, Ariane Nunes-Alves, Thereza A. Soares, Kenneth M. Merz Jr.

J. Chem. Inf. Model., 2024

2023

AlphaFold2 in Molecular Discovery.

Ariane Nunes-Alves, Kenneth M. Merz Jr.

J. Chem. Inf. Model., October, 2023

2022

The (Re)-Evolution of Quantitative Structure-Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods.

Thereza A. Soares, Ariane Nunes-Alves, Angelica Mazzolari, Fiorella Ruggiu, Guo-Wei Wei, Kenneth M. Merz Jr.

J. Chem. Inf. Model., 2022

2021

Prediction of the Drug-Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis.

Ariane Nunes-Alves, Fabian Ormersbach, Rebecca C. Wade

J. Chem. Inf. Model., 2021

2020

What Makes a Paper Be Highly Cited? 60 Years of the Journal of Chemical Information and Modeling.

Ariane Nunes-Alves, Angelica Mazzolari, Kenneth M. Merz Jr.

J. Chem. Inf. Model., 2020

From Brazil to Germany: Challenges and Advantages.

Ariane Nunes-Alves

J. Chem. Inf. Model., 2020

Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry.

Angelica Mazzolari, Ariane Nunes-Alves, Habibah A. Wahab, Rommie E. Amaro, Zoe Cournia, Kenneth M. Merz Jr.

J. Chem. Inf. Model., 2020

2014

Ligand-Receptor Affinities Computed by an Adapted Linear Interaction Model for Continuum Electrostatics and by Protein Conformational Averaging.

Ariane Nunes-Alves, Guilherme Menegon Arantes

J. Chem. Inf. Model., 2014