Conformational analysis: A new approach by means of chemometrics. - Aline Thaís Bruni; Vitor B. P. Leite; Márcia M. C. Ferreira (J. Comput. Chem., 2002)

Relationship between global structural parameters and Enzyme Commission hierarchy: Implications for function prediction. - Marcelo Boareto; Michel E. B. Yamagishi; Nestor Caticha; Vitor B. P. Leite (Comput. Biol. Chem., 2012)

Supervised Variational Relevance Learning, An Analytic Geometric Feature Selection with Applications to Omic Datasets. - Marcelo Boareto; Jonatas Cesar; Vitor B. P. Leite; Nestor Caticha (IEEE ACM Trans. Comput. Biol. Bioinform., 2015)

Differential Expression Analysis in RNA-seq Data Using a Geometric Approach. - Tiago Tambonis; Marcelo Boareto; Vitor B. P. Leite (J. Comput. Biol., 2018)

Water Bridges Play a Key Role in Affinity and Selectivity for Malarial Protease Falcipain-2. - Jorge Enrique Hernández González; Lilian Hernández Alvarez; Vitor B. P. Leite; Pedro Geraldo Pascutti (J. Chem. Inf. Model., 2020)

Rational Design of Chymotrypsin Inhibitor 2 by Optimizing Non-Native Interactions. - Fernando Bruno da Silva; Vinícius Martins de Oliveira; Murilo Nogueira Sanches; Vinícius G. Contessoto; Vitor B. P. Leite (J. Chem. Inf. Model., 2020)

In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2. - Jorge Enrique Hernández González; Emir Salas-Sarduy; Lilian Hernández Alvarez; Diego Enry Barreto Gomes; Pedro Geraldo Pascutti; Chris Oostenbrink; Vitor B. P. Leite (J. Comput. Aided Mol. Des., 2021)

Characterizing the Folding Transition-State Ensembles in the Energy Landscape of an RNA Tetraloop. - Rafael Giordano Viegas; Murilo Nogueira Sanches; Alan A. Chen; Fernando V. Paulovich; Angel E. García; Vitor B. P. Leite (J. Chem. Inf. Model., 2023)

Unveiling Metastable Ensembles of GRB2 and the Relevance of Interdomain Communication during Folding. - Raphael V. R. Dias; Renan P. Pedro; Murilo Nogueira Sanches; Giovana C. Moreira; Vitor B. P. Leite; Icaro P. Caruso; Fernando A. de Melo; Leandro C. Oliveira (J. Chem. Inf. Model., 2023)

Understanding the Energy Landscape of Intrinsically Disordered Protein Ensembles. - Rafael Giordano Viegas; Ingrid B. S. Martins; Vitor B. P. Leite (J. Chem. Inf. Model., 2024)

ELViM: Exploring Biomolecular Energy Landscapes through Multidimensional Visualization. - Rafael Giordano Viegas; Ingrid B. S. Martins; Murilo Nogueira Sanches; Antonio B. Oliveira Junior; Juliana B. de Camargo; Fernando V. Paulovich; Vitor B. P. Leite (J. Chem. Inf. Model., 2024)