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)

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)

Identifying Drug Repositioning Targets using Text Mining. - Eduardo Barçante; Milene Jezuz; Felipe Duval; Ernesto Caffarena; Oswaldo G. Cruz; Fabrício Silva (KDIR, 2014)

Mining for Adverse Drug Events on Twitter. - Felipe Duval; Ernesto Caffarena; Oswaldo G. Cruz; Fabrício Silva (KDIR, 2014)

Boosting Docking-Based Virtual Screening with Deep Learning. - Janaina Cruz Pereira; Ernesto Raúl Caffarena; Cícero Nogueira dos Santos (J. Chem. Inf. Model., 2016)

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)