Insight into the Interaction Mechanism of Nicotine, NNK, and NNN with Cytochrome P450 2A13 Based on Molecular Dynamics Simulation. - Jorddy Neves Cruz; Mozaniel Santana de Oliveira; Sebastião Gomes Silva; Antonio Pedro da Silva Souza Filho; Daniel Santiago Pereira; Anderson Henrique Lima e Lima; Eloisa Helena de Aguiar Andrade (J. Chem. Inf. Model., 2020)

Exploring Chloride Selectivity and Halogenase Regioselectivity of the SalL Enzyme through Quantum Mechanical/Molecular Mechanical Modeling. - Paulo R. M. Pereira; Jéssica de O. Araújo; José Rogério A. Silva; Cláudio Nahum Alves; Jerônimo Lameira; Anderson Henrique Lima e Lima (J. Chem. Inf. Model., 2020)

BrainPepPass: A Framework Based on Supervised Dimensionality Reduction for Predicting Blood-Brain Barrier-Penetrating Peptides. - Ewerton Cristhian Lima de Oliveira; Hannah Hirmz; Evelien Wynendaele; Juliana Auzier Seixas Feio; Igor Matheus Souza Moreira; Kauê Santana da Costa; Anderson Henrique Lima e Lima; Bart De Spiegeleer; Claudomiro de Souza de Sales Junior (J. Chem. Inf. Model., 2024)