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)

Kinase Activation by Small Conformational Changes. - Elias D. López; Osvaldo Burastero; Juan Pablo Arcon; Lucas A. Defelipe; Natalie G. Ahn; Marcelo A. Marti; Adrian Gustavo Turjanski (J. Chem. Inf. Model., 2020)

Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations. - Federico A. Olivieri; Osvaldo Burastero; Salvador I. Drusin; Lucas A. Defelipe; Diana E. Wetzler; Adrian Gustavo Turjanski; Marcelo A. Marti (J. Chem. Inf. Model., 2020)

Specificity and Reactivity of Mycobacterium tuberculosis Serine/Threonine Kinases PknG and PknB. - Osvaldo Burastero; Marisol Cabrera; Elias D. López; Lucas A. Defelipe; Juan Pablo Arcon; Rosario Durán; Marcelo A. Marti; Adrian Gustavo Turjanski (J. Chem. Inf. Model., 2022)