Residue correlation networks in nuclear receptors reflect functional specialization and the formation of the nematode-specific P-box

por Lima Afonso, Marcelo Querino, de Lima, Leonardo Henrique França, Bleicher, Lucas
Publicado 2013

A Computational Method to Propose Mutations in Enzymes Based on Structural Signature Variation (SSV)

por Mariano, Diego César Batista, Santos, Lucianna Helene, Machado, Karina dos Santos, Werhli, Adriano Velasque, de Lima, Leonardo Henrique França, de Melo-Minardi, Raquel Cardoso
Publicado 2019

VTR: A Web Tool for Identifying Analogous Contacts on Protein Structures and Their Complexes

por Pimentel, Vitor, Mariano, Diego, Cantão, Letícia Xavier Silva, Bastos, Luana Luiza, Fischer, Pedro, de Lima, Leonardo Henrique Franca, Fassio, Alexandre Victor, de Melo-Minardi, Raquel Cardoso
Publicado 2021

Molecular Dynamics Gives New Insights into the Glucose Tolerance and Inhibition Mechanisms on β-Glucosidases

por Costa, Leon Sulfierry Corrêa, Mariano, Diego César Batista, Rocha, Rafael Eduardo Oliveira, Kraml, Johannes, da Silveira, Carlos Henrique, Liedl, Klaus Roman, de Melo-Minardi, Raquel Cardoso, de Lima, Leonardo Henrique Franca
Publicado 2019

Computational prediction of potential inhibitors for SARS-COV-2 main protease based on machine learning, docking, MM-PBSA calculations, and metadynamics

por Gomes, Isabela de Souza, Santana, Charles Abreu, Marcolino, Leandro Soriano, de Lima, Leonardo Henrique França, de Melo-Minardi, Raquel Cardoso, Dias, Roberto Sousa, de Paula, Sérgio Oliveira, Silveira, Sabrina de Azevedo
Publicado 2022

Elucidating the molecular mechanisms of essential oils' insecticidal action using a novel cheminformatics protocol

por Corrêa, Eduardo José Azevedo, Carvalho, Frederico Chaves, de Castro Oliveira, Júlia Assunção, Bertolucci, Suzan Kelly Vilela, Scotti, Marcus Tullius, Silveira, Carlos Henrique, Guedes, Fabiana Costa, Melo, Júlio Onésio Ferreira, de Melo-Minardi, Raquel Cardoso, de Lima, Leonardo Henrique França
Publicado 2023

E-Volve: understanding the impact of mutations in SARS-CoV-2 variants spike protein on antibodies and ACE2 affinity through patterns of chemical interactions at protein interfaces

por Dos Santos, Vitor Pimentel, Rodrigues, André, Dutra, Gabriel, Bastos, Luana, Mariano, Diego, Mendonça, José Gutembergue, Lobo, Yan Jerônimo Gomes, Mendes, Eduardo, Maia, Giovana, Machado, Karina dos Santos, Werhli, Adriano Velasque, Rocha, Gerd, de Lima, Leonardo Henrique França, de Melo-Minardi, Raquel
Publicado 2022