Combining Free Energy Simulations and NMR Chemical-Shift Perturbation To Identify Transient Cation-π Contacts in Proteins. - André A. O. Reis; Raphael S. R. Sayegh; Sandro R. Marana; Guilherme Menegon Arantes (J. Chem. Inf. Model., 2020)

X-ray Structure, Bioinformatics Analysis, and Substrate Specificity of a 6-Phospho-β-glucosidase Glycoside Hydrolase 1 Enzyme from Bacillus licheniformis. - Wayde Veldman; Marcelo Vizona Liberato; Vitor M. Almeida; Valquiria P. Souza; Maira A. Frutuoso; Sandro R. Marana; Vuyani Moses; Özlem Tastan Bishop; Igor Polikarpov (J. Chem. Inf. Model., 2020)

Differences in Gluco and Galacto Substrate-Binding Interactions in a Dual 6Pβ-Glucosidase/6Pβ-Galactosidase Glycoside Hydrolase 1 Enzyme from Bacillus licheniformis. - Wayde Veldman; Marcelo Vizona Liberato; Valquiria P. Souza; Vitor M. Almeida; Sandro R. Marana; Özlem Tastan Bishop; Igor Polikarpov (J. Chem. Inf. Model., 2021)