Accelerating Docking Simulation Using Multicore and GPU Systems. - Everton Mendonça; Marcos Barreto 001; Vinícius Guimarães; Nelci Santos; Samuel Pita; Murilo Boratto (ICCSA (1), 2017)

Acetylcholinesterase inhibitory activities and bioguided fractionation of the Ocotea percoriacea extracts: HPLC-DAD-MS/MS characterization and molecular modeling of their alkaloids in the active fraction. - Dayse Santos Almeida Cassiano; Isabella Mary Alves Reis; Isabela de Oliveira Estrela; Humberto Fonseca de Freitas; Samuel Silva da Rocha Pita; Jorge Mauricio David; Alexsandro Branco (Comput. Biol. Chem., 2019)

In silico identification and evaluation of new Trypanosoma cruzi trypanothione reductase (TcTR) inhibitors obtained from natural products database of the Bahia semi-arid region (NatProDB). - Vinícius Guimarães da Paixão; Samuel Silva da Rocha Pita (Comput. Biol. Chem., 2019)