Publications

AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions, Arcon, Juan Pablo, Modenutti Carlos P., Avendaño Demian, Lopez Elias D., Defelipe Lucas A., Ambrosio Francesca Alessandra, Turjanski Adrian G., Forli Stefano, and Martí Marcelo A. , Bioinformatics, 2019, Volume 35, Issue 19, p.3836 - 3838, (2019)

Molecular Dynamics in Mixed Solvents Reveals Protein–Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions, Arcon, Juan Pablo, Defelipe Lucas A., Modenutti Carlos P., López Elias D., Alvarez-Garcia Daniel, Barril Xavier, Turjanski Adrián G., and Martí Marcelo A. , Journal of Chemical Information and Modeling, 04/2017, Volume 57, Issue 4, p.846 - 863, (2017)