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Journal Articles
- 2022
[j8]Yan M. H. Gonçalves
, Sadra Kashefolgheta, Marina P. Oliveira, Philippe H. Hünenberger, Bruno A. C. Horta:
Simultaneous parametrization of torsional and third-neighbor interaction terms in force-field development: The LLS-SC algorithm. J. Comput. Chem. 43(9): 644-653 (2022)- 2021
- [j7]Mayk C. Ramos, Bruno A. C. Horta:
Drug-Loading Capacity of PAMAM Dendrimers Encapsulating Quercetin Molecules: A Molecular Dynamics Study with the 2016H66 Force Field. J. Chem. Inf. Model. 61(2): 987-1000 (2021) - [j6]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:
pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules. J. Chem. Inf. Model. 61(4): 1539-1544 (2021) - 2020
- [j5]Rogerio C. B. L. Povoa, Adriano S. Koshiyama, Douglas Mota Dias, Patricia L. Souza, Bruno A. C. Horta:
Unimodal optimization using a genetic-programming-based method with periodic boundary conditions. Genet. Program. Evolvable Mach. 21(3): 503-523 (2020) - 2019
- [j4]Mayk C. Ramos, Vitor A. C. Horta, Bruno A. C. Horta:
Molecular Dynamics Simulations of PAMAM and PPI Dendrimers Using the GROMOS-Compatible 2016H66 Force Field. J. Chem. Inf. Model. 59(4): 1444-1457 (2019) - 2017
- [j3]Edson R. A. Oliveira, Ricardo B. de Alencastro, Bruno A. C. Horta:
New insights into flavivirus biology: the influence of pH over interactions between prM and E proteins. J. Comput. Aided Mol. Des. 31(11): 1009-1019 (2017) - 2012
- [j2]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:
New functionalities in the GROMOS biomolecular simulation software. J. Comput. Chem. 33(3): 340-353 (2012) - [j1]Bruno A. C. Horta, Zhixiong Lin, Wei Huang, Sereina Riniker, Wilfred F. van Gunsteren, Philippe H. Hünenberger:
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. J. Comput. Chem. 33(24): 1907-1917 (2012)
Conference and Workshop Papers
- 2018
- [c2]Rogerio C. B. L. Povoa, Adriano S. Koshiyama, Douglas Mota Dias, Patricia L. Souza, Bruno A. C. Horta:
Multi-Modal Optimization by Multi-Gene Genetic Programming. CEC 2018: 1-8 - 2017
- [c1]Edwin German Maldonado Tavara, Marley M. B. R. Vellasco, Bruno A. C. Horta, Fábio L. Custódio:
Feature importance calculation and protein quality assessment on the decoy discrimination problem. IJCNN 2017: 248-255
Coauthor Index
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