Carlos P. Modenutti

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

Solvent structure improves docking prediction in lectin–carbohydrate complexes

Diego F. Gauto, Ariel A. Petruk, Carlos P. Modenutti et al. · Glycobiology · 2012 · 47 citations · Full text

A Carboxy-Terminal Monoleucine-Based Motif Participates in the Basolateral Targeting of the Na+/I− Symporter

Mariano Martín, Carlos P. Modenutti, Victoria Peyret et al. · Endocrinology · 2018 · 31 citations · Full text