Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: Influence on the folding properties of two beta-peptides in methanol. - Bruno A. C. Horta; Zhixiong Lin; Wei Huang; Sereina Riniker; Wilfred F. van Gunsteren; Philippe H. Hünenberger (J. Comput. Chem., 2012)

New functionalities in the GROMOS biomolecular simulation software. - Anna-Pitschna E. Kunz; Jane R. Allison; Daan P. Geerke; Bruno A. C. Horta; Philippe H. Hünenberger; Sereina Riniker; Nathan Schmid; Wilfred F. van Gunsteren (J. Comput. Chem., 2012)

Feature importance calculation and protein quality assessment on the decoy discrimination problem. - Edwin German Maldonado Tavara; Marley M. B. R. Vellasco; Bruno A. C. Horta; Fábio L. Custódio (IJCNN, 2017)

New insights into flavivirus biology: the influence of pH over interactions between prM and E proteins. - Edson R. A. Oliveira; Ricardo B. de Alencastro; Bruno A. C. Horta (J. Comput. Aided Mol. Des., 2017)

Multi-Modal Optimization by Multi-Gene Genetic Programming. - Rogerio C. B. L. Povoa; Adriano S. Koshiyama; Douglas Mota Dias; Patricia L. Souza; Bruno A. C. Horta (CEC, 2018)

Molecular Dynamics Simulations of PAMAM and PPI Dendrimers Using the GROMOS-Compatible 2016H66 Force Field. - Mayk C. Ramos; Vitor A. C. Horta; Bruno A. C. Horta (J. Chem. Inf. Model., 2019)

Unimodal optimization using a genetic-programming-based method with periodic boundary conditions. - Rogerio C. B. L. Povoa; Adriano S. Koshiyama; Douglas Mota Dias; Patricia L. Souza; Bruno A. C. Horta (Genet. Program. Evolvable Mach., 2020)

Drug-Loading Capacity of PAMAM Dendrimers Encapsulating Quercetin Molecules: A Molecular Dynamics Study with the 2016H66 Force Field. - Mayk C. Ramos; Bruno A. C. Horta (J. Chem. Inf. Model., 2021)

pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules. - Mayk C. Ramos; Patrick K. Quoika; Vitor A. C. Horta; Douglas Mota Dias; Elan G. Costa; Jorge Luís Machado do Amaral; Luigi M. Ribeiro; Klaus R. Liedl; Bruno A. C. Horta (J. Chem. Inf. Model., 2021)

Simultaneous parametrization of torsional and third-neighbor interaction terms in force-field development: The LLS-SC algorithm. - Yan M. H. Gonçalves; Sadra Kashefolgheta; Marina P. Oliveira; Philippe H. Hünenberger; Bruno A. C. Horta (J. Comput. Chem., 2022)