Lucas A Defelipe (Lucas Defelipe)

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 13

Top Topics

Protein Protein

Antiplatelet Therapy

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Science advances

The journal of physical chemistry. B

Acta crystallographica. Section D, Structural biology

This page only lists publications with an associated author ORCID identifier.

Publications

Gonzalo F Mayol, Lucas A Defelipe, Juan Pablo Arcon, Adrián G Turjanski, Marcelo A Marti
Solvent Sites Improve Docking Performance of Protein-Protein Complexes and Protein-Protein Interface-Targeted Drugs. Journal of chemical information and modeling 62 (15) (2022)
Osvaldo Burastero, Lucas A Defelipe, Gabriel Gola, Nancy L Tateosian, Elias D Lopez, Camila Belen Martinena, Juan Pablo Arcon, Martín Dodes Traian, Diana E Wetzler, Isabel Bento, Xavier Barril, Javier Ramirez, Marcelo A Marti, Maria M Garcia-Alai, Adrián G Turjanski
Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors. Journal of medicinal chemistry 65 (14) (2022)
Osvaldo Burastero, Marisol Cabrera, Elias D Lopez, Lucas A Defelipe, Juan Pablo Arcon, Rosario Durán, Marcelo A Marti, Adrián G Turjanski
Specificity and Reactivity of Mycobacterium tuberculosis Serine/Threonine Kinases PknG and PknB. Journal of chemical information and modeling 62 (7) (2022)
Lisandro Horacio Otero, Sabrina Foscaldi, Giuliano Tomás Antelo, Germán L Rosano, Serena Sirigu, Sebastián Klinke, Lucas A Defelipe, Maximiliano Sánchez-Lamas, Giovanni Battocchio, Valeria Conforte, Adrián A Vojnov, Leonard Michel Gabriel Chavas, Fernando A Goldbaum, Maria-Andrea Mroginski, Jimena Rinaldi, Hernán Ruy Bonomi
Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level. Science advances 7 (48) (2021)
Osvaldo Burastero, Stephan Niebling, Lucas A Defelipe, Christian Günther, Angelica Struve, Maria M Garcia Alai
eSPC: an online data-analysis platform for molecular biophysics. Acta crystallographica. Section D, Structural biology 77 (Pt 10) (2021)
Federico A Olivieri, Osvaldo Burastero, Salvador Iván Drusin, Lucas A Defelipe, Diana E Wetzler, Adrián Turjanski, Marcelo A Marti
Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations. Journal of chemical information and modeling 60 (2) (2020)
Rodolfo M González Lebrero, Lucas A Defelipe, Carlos P Modenutti, Adrian E Roitberg, Nicolas A Batastini, Martín E Noguera, Javier Santos, Ernesto A Roman
Folding and Dynamics Are Strongly pH-Dependent in a Psychrophile Frataxin. The journal of physical chemistry. B 123 (36) (2019)
Juan Pablo Arcon, Lucas A Defelipe, Elias D Lopez, Osvaldo Burastero, Carlos P Modenutti, Xavier Barril, Marcelo A Marti, Adrian G Turjanski
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening. Journal of chemical information and modeling 59 (8) (2019)
Lummy Maria Oliveira Monteiro, Letı Cia Magalhães Arruda, Ananda Sanches-Medeiros, Leonardo Martins-Santana, Luana de Fátima Alves, Lucas A Defelipe, Adrian Gustavo Turjanski, Marı A-Eugenia Guazzaroni, Victor de Lorenzo, Rafael Silva-Rocha
Reverse Engineering of an Aspirin-Responsive Transcriptional Regulator in Escherichia coli. ACS synthetic biology 8 (8) (2019)
Elias D Lopez, Osvaldo Burastero, Juan Pablo Arcon, Lucas A Defelipe, Natalie G Ahn, Marcelo A Marti, Adrián G Turjanski
Kinase Activation by Small Conformational Changes. Journal of chemical information and modeling 60 (2) (2019)
Juan Pablo Arcon, Lucas A Defelipe, Carlos P Modenutti, Elias D Lopez, Daniel Alvarez Garcia, Xavier Barril, Adrián G Turjanski, Marcelo A Marti
Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy Predictions. Journal of chemical information and modeling 58 (6) (2018)
Lucas A Defelipe, Juan Pablo Arcon, Carlos P Modenutti, Marcelo A Marti, Adrián G Turjanski, Xavier Barril
Solvents to Fragments to Drugs: MD Applications in Drug Design. Molecules (Basel, Switzerland) 23 (12) (2018)
Juan Pablo Arcon, Lucas A Defelipe, Carlos P Modenutti, Elias D López, Daniel Alvarez-Garcia, Xavier Barril, Adrián G Turjanski, Marcelo A Marti
Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions. Journal of chemical information and modeling 57 (4) (2017)