Arcon, Juan Pablo

PRODUCCION CIENTÍFICO TECNOLÓGICA

Mostrando ítems 1-8 de 8

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

Arcon, Juan Pablo ; Modenutti, Carlos Pablo ; Avendaño, Demian; Lopez, Elias Daniel ; Defelipe, Lucas Alfredo ; Ambrosio, Francesca Alessandra; Turjanski, Adrian ; Forli, Stefano; Marti, Marcelo Adrian (Oxford University Press, 2019-10)
Artículo Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening

Arcon, Juan Pablo ; Defelipe, Lucas Alfredo ; Lopez, Elias Daniel ; Burastero, Osvaldo ; Modenutti, Carlos Pablo ; Barril, Xavier; Marti, Marcelo Adrian ; Turjanski, Adrian (American Chemical Society, 2019-08)
Tesis Determinantes moleculares de la interacción droga-proteína: uso de cosolventes como moléculas de prueba

Arcon, Juan Pablo (2018-03-09) Director: Turjanski, Adrian ; Consejero de estudios: Levi, Valeria
Artículo Kinase Activation by Small Conformational Changes

Lopez, Elias Daniel ; Burastero, Osvaldo ; Arcon, Juan Pablo ; Defelipe, Lucas Alfredo ; Ahn, Natalie G.; Marti, Marcelo Adrian ; Turjanski, Adrian (American Chemical Society, 2019-11)
Artículo Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions

Arcon, Juan Pablo ; Defelipe, Lucas Alfredo ; Modenutti, Carlos Pablo ; Lopez, Elias Daniel ; Alvarez Garcia, Daniel; Barril, Xavier; Turjanski, Adrian ; Marti, Marcelo Adrian (American Chemical Society, 2017-04)
Artículo Molecular mechanism of myoglobin autoxidation: Insights from computer simulations

Arcon, Juan Pablo ; Rosi, Pablo Eduardo ; Petruk, Ariel Alcides ; Marti, Marcelo Adrian ; Estrin, Dario Ariel (American Chemical Society, 2015-01)
Artículo Solvents to fragments to drugs: MD applications in drug design

Defelipe, Lucas Alfredo ; Arcon, Juan Pablo ; Modenutti, Carlos Pablo ; Marti, Marcelo Adrian ; Turjanski, Adrian ; Barril, Xavier (Molecular Diversity Preservation International, 2018-12)
Artículo WATCLUST: a tool for improving the design of drugs based on protein-water interactions

Lopez, Elias Daniel ; Arcon, Juan Pablo ; Gauto, Diego Fernando ; Petruk, Ariel Alcides ; Modenutti, Carlos Pablo ; Dumas, Victoria Gisel ; Marti, Marcelo Adrian ; Turjanski, Adrian (Oxford University Press, 2015-05)

Mostrando ítems 1-8 de 8