Ernesto Raúl Caffarena

Publication Activity (10 Years)

Years Active: 2010-2019
Publications (10 Years): 2

Top Topics

Computational Modeling

Virtual Screening

Top Venues

J. Chem. Inf. Model.

Publications

Lucianna Helene Santos, Birgit J. Waldner, Julian E. Fuchs, Glaécia A. N. Pereira, Klaus R. Liedl, Ernesto Raúl Caffarena, Rafaela Salgado Ferreira
Understanding Structure-Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations. J. Chem. Inf. Model. 59 (1) (2019)
Janaina Cruz Pereira, Ernesto Raúl Caffarena, Cícero Nogueira dos Santos
Boosting Docking-Based Virtual Screening with Deep Learning. J. Chem. Inf. Model. 56 (12) (2016)
Amanda M. Maia, João H. M. da Silva, André L. Mencalha, Ernesto Raúl Caffarena, Eliana Abdelhay
Computational modeling of the bHLH domain of the transcription factor TWIST1 and R118C, S144R and K145E mutants. BMC Bioinform. 13 (2012)
Pedro A. Valiente, Alejandro Gil L., Paulo R. Batista, Ernesto Raúl Caffarena, Tirso Pons, Pedro Geraldo Pascutti
New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes. J. Comput. Chem. 31 (15) (2010)