Lucas A. Defelipe

According to our database, Lucas A. Defelipe authored at least 12 papers between 2014 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2022

Solvent Sites Improve Docking Performance of Protein-Protein Complexes and Protein-Protein Interface-Targeted Drugs.

Gonzalo F. Mayol, Lucas A. Defelipe, Juan Pablo Arcon, Adrian Gustavo Turjanski, Marcelo A. Marti

J. Chem. Inf. Model., 2022

Specificity and Reactivity of <i>Mycobacterium tuberculosis</i> 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

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

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

Aromatic clusters in protein-protein and protein-drug complexes.

Esteban Lanzarotti, Lucas A. Defelipe, Marcelo A. Marti, Adrian Gustavo Turjanski

J. Cheminformatics, 2020

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

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

2018

Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens.

Ezequiel J. Sosa, Germán Burguener, Esteban Lanzarotti, Lucas A. Defelipe, Leandro G. Radusky, Agustín M. Pardo, Marcelo A. Marti, Adrian Gustavo Turjanski, Darío Fernández Do Porto

Nucleic Acids Res., 2018

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

2017

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

2015

Protein Topology Determines Cysteine Oxidation Fate: The Case of Sulfenyl Amide Formation among Protein Families.

Lucas A. Defelipe, Esteban Lanzarotti, Diego F. Gauto, Marcelo A. Marti, Adrian Gustavo Turjanski

PLoS Comput. Biol., 2015

2014

TuberQ: a <i>Mycobacterium tuberculosis</i> protein druggability database.

Leandro G. Radusky, Lucas A. Defelipe, Esteban Lanzarotti, F. Javier Luque, Xavier Barril, Marcelo A. Marti, Adrian Gustavo Turjanski

Database J. Biol. Databases Curation, 2014