Elias D. López

Molecular Dynamics in Mixed Solvents Reveals Protein–Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions

Juan Pablo Arcon, Lucas A. Defelipe, Carlos P. Modenutti et al. · Journal of Chemical Information and Modeling · 2017 · 104 citations

AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions

Juan Pablo Arcon, Carlos P. Modenutti, Demian Avendaño et al. · Bioinformatics · 2019 · 71 citations · Full text

Engineering, Molecular Biology, Implementation Autodock Bias +23

WATCLUST: a tool for improving the design of drugs based on protein-water interactions

Elias D. López, Juan Pablo Arcon, Diego F. Gauto et al. · Bioinformatics · 2015 · 66 citations · Full text

Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening

Juan Pablo Arcon, Lucas A. Defelipe, Elias D. López et al. · Journal of Chemical Information and Modeling · 2019 · 26 citations

Kinase Activation by Small Conformational Changes

Elias D. López, Osvaldo Burastero, Juan Pablo Arcon et al. · Journal of Chemical Information and Modeling · 2019 · 24 citations · Full text