Ariane Nunes-Alves

20PUBLICATIONS
80CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsComputational chemistryMolecular targetsMedical parasitologyProteins and peptides
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Publications (20)

|Jun 22, 2026
Mapping the Molecular Universe: Exploring Chemical Compound Space by Multiscale High-Throughput Screening and Machine Learning.

|Apr 23, 2026
Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry.

|Mar 14, 2026
Riboflavin metabolism shapes FSP1-driven ferroptosis resistance.

Vera Skafar, Izadora de Souza, Biplab Ghosh

|Mar 05, 2026
Mechanisms of PfDNMT2 inhibition and PfATP6-mediated resistance to the antimalarial candidate SC83288 in Plasmodium falciparum.

Cecilia P Sanchez, Maëlle Duffey, Romina V Celada

|Jan 26, 2026
Molecular Glues Stabilize Water-Mediated Hydrogen Bonds in Ternary Complexes.

Apoorva Mathur, Mariona Alegre Canela, Max von Graevenitz

|Jul 29, 2025
Symmetric Ligand Binding Pathways and Dual-State Bottleneck in [NiFe] Hydrogenases from Unbiased Molecular Dynamics.

Farzin Sohraby, Ariane Nunes-Alves

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Frequent Collaborators

4 joint publications

Kenneth Merz

4 joint publications

Rebecca C Wade

3 joint publications

Farzin Sohraby

2 joint publications

Apoorva Mathur