Ab initio conformational analysis of cyclooctane molecule. - Willian R. Rocha; Josefredo R. Pliego Jr.; Stella M. Resende; Hélio F. Dos Santos; Marcos A. De Oliveira; Wagner B. De Almeida (J. Comput. Chem., 1998)

Gaussian basis sets for ab initio calculation of NLO properties of polyatomic molecules. - Diego Paschoal; Marcello F. Costa; Georgia M. A. Junqueira; Hélio F. Dos Santos (J. Comput. Methods Sci. Eng., 2010)

The role of the basis set and the level of quantum mechanical theory in the prediction of the structure and reactivity of cisplatin. - Diego Paschoal; Bruna L. Marcial; Juliana Fedoce Lopes; Wagner B. De Almeida; Hélio F. Dos Santos (J. Comput. Chem., 2012)

Predicting Pt-195 NMR chemical shift using new relativistic all-electron basis set. - Diego Paschoal; Célia Fonseca Guerra; Marcone Augusto L. de Oliveira; Teodorico C. Ramalho; Hélio F. Dos Santos (J. Comput. Chem., 2016)

Chemically Modified Carbon Nanohorns as Nanovectors of the Cisplatin Drug: A Molecular Dynamics Study. - Eduardo R. Almeida; Leonardo A. De Souza; Wagner B. De Almeida; Hélio F. Dos Santos (J. Chem. Inf. Model., 2020)

Translocation Processes of Pt(II)-Based Drugs through Human Breast Cancer Cell Membrane: In Silico Experiments. - Eduardo R. Almeida; Priscila V. Z. Capriles Goliatt; Hélio F. Dos Santos; Fabien Picaud (J. Chem. Inf. Model., 2023)

Exploring the Myostatin Activation Pathway: A Promising Target for Treating Muscle Atrophy. - Daniel B. Quintanilha; Hélio F. Dos Santos (J. Chem. Inf. Model., 2025)