WATCLUST: a tool for improving the design of drugs based on protein-water interactions. - Elias D. López; Juan Pablo Arcon; Diego F. Gauto; Ariel A. Petruk; Carlos P. Modenutti; Victoria G. Dumas; Marcelo A. Marti; Adrian Gustavo Turjanski (Bioinform., 2015)

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; Elias D. López; Daniel Alvarez-Garcia; Xavier Barril; Adrian Gustavo Turjanski; Marcelo A. Marti (J. Chem. Inf. Model., 2017)

LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening. - Leandro G. Radusky; Sergio Ruiz-Carmona; Carlos P. Modenutti; Xavier Barril; Adrian Gustavo Turjanski; Marcelo A. Marti (J. Chem. Inf. Model., 2017)

Correction to 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; Elias D. López; Daniel Alvarez-Garcia; Xavier Barril; Adrian Gustavo Turjanski; Marcelo A. Marti (J. Chem. Inf. Model., 2018)

AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions. - Juan Pablo Arcon; Carlos P. Modenutti; Demian Avendaño; Elias D. López; Lucas A. Defelipe; Francesca Alessandra Ambrosio; Adrian Gustavo Turjanski; Stefano Forli; Marcelo A. Marti (Bioinform., 2019)

Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening. - Juan Pablo Arcon; Lucas A. Defelipe; Elias D. López; Osvaldo Burastero; Carlos P. Modenutti; Xavier Barril; Marcelo A. Marti; Adrian Gustavo Turjanski (J. Chem. Inf. Model., 2019)