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)

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)

From Brazil to Germany: Challenges and Advantages. - Ariane Nunes-Alves (J. Chem. Inf. Model., 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)

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)

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 001; Kenneth M. Merz Jr. (J. Chem. Inf. Model., 2022)

AlphaFold2 in Molecular Discovery. - Ariane Nunes-Alves; Kenneth M. Merz Jr. (J. Chem. Inf. Model., 2023)

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)

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)

Characterization of the Bottlenecks and Pathways for Inhibitor Dissociation from [NiFe] Hydrogenase. - Farzin Sohraby; Ariane Nunes-Alves (J. Chem. Inf. Model., 2024)

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)

Agonists and Antagonists Show Different Unbinding Paths from the TLR8 Receptor. - Valerij Talagayev; Gerhard Wolber; Ariane Nunes-Alves (J. Chem. Inf. Model., 2025)