Homology modeling and molecular dynamics provide structural insights into tospovirus nucleoprotein. - Rayane Nunes Lima; Muhammad Faheem 004; João Alexandre Ribeiro Gonçalves Barbosa; Marcelo Depólo Polêto; Hugo Verli; Fernando Lucas Melo; Renato Oliveira Resende (BMC Bioinform., 2016)

ConfID: an analytical method for conformational characterization of small molecules using molecular dynamics trajectories. - Marcelo Depólo Polêto; Bruno Iochins Grisci; Márcio Dorn; Hugo Verli (Bioinform., 2020)

The Lazy Life of Lipid-Linked Oligosaccharides in All Life Domains. - Pablo R. Arantes; Conrado Pedebos; Marcelo Depólo Polêto; Laercio Pol-Fachin; Hugo Verli (J. Chem. Inf. Model., 2020)

Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations. - Victor H. Rusu; Denys E. S. Santos; Marcelo Depólo Polêto; Marcelo Galheigo; Antônio Tadeu A. Gomes; Hugo Verli; Thereza A. Soares; Roberto D. Lins (J. Chem. Inf. Model., 2020)

Making it Rain: Cloud-Based Molecular Simulations for Everyone. - Pablo R. Arantes; Marcelo Depólo Polêto; Conrado Pedebos; Rodrigo Ligabue-Braun (J. Chem. Inf. Model., 2021)

TUPÃ: Electric field analyses for molecular simulations. - Marcelo Depólo Polêto; Justin A. Lemkul (J. Comput. Chem., 2022)

Differences in Conformational Sampling and Intrinsic Electric Fields Drive Ion Binding in Telomeric and TERRA G-Quadruplexes. - Marcelo Depólo Polêto; Justin A. Lemkul (J. Chem. Inf. Model., 2023)