Ernesto Raúl Caffarena

According to our database, Ernesto Raúl Caffarena authored at least 4 papers between 2010 and 2019.

Collaborative distances:

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

2019

Understanding Structure-Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations.

Lucianna Helene Santos, Birgit J. Waldner, Julian E. Fuchs, Glaécia A. N. Pereira, Klaus R. Liedl, Ernesto Raúl Caffarena, Rafaela Salgado Ferreira

J. Chem. Inf. Model., 2019

2016

Boosting Docking-Based Virtual Screening with Deep Learning.

Janaina Cruz Pereira, Ernesto Raúl Caffarena, Cícero Nogueira dos Santos

J. Chem. Inf. Model., 2016

2012

Computational modeling of the bHLH domain of the transcription factor TWIST1 and R118C, S144R and K145E mutants.

Amanda M. Maia, João H. M. da Silva, André L. Mencalha, Ernesto Raúl Caffarena, Eliana Abdelhay

BMC Bioinform., 2012

2010

New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes.

Pedro A. Valiente, Alejandro Gil L., Paulo R. Batista, Ernesto Raúl Caffarena, Tirso Pons, Pedro Geraldo Pascutti

J. Comput. Chem., 2010