Bruno A. C. Horta
Bruno A. C. Horta
Professor do Instituto de Química, Universidade Federal do Rio de Janeiro
Verified email at iq.ufrj.br - Homepage
TitleCited byYear
GROMOS++ software for the analysis of biomolecular simulation trajectories
AP Eichenberger, JR Allison, J Dolenc, DP Geerke, BAC Horta, K Meier, ...
Journal of chemical theory and computation 7 (10), 3379-3390, 2011
1272011
MKTOP: a program for automatic construction of molecular topologies
AAST Ribeiro, BAC Horta, RB Alencastro
Journal of the Brazilian Chemical Society 19 (7), 1433-1435, 2008
972008
New functionalities in the GROMOS biomolecular simulation software
APE Kunz, JR Allison, DP Geerke, BAC Horta, PH Hünenberger, ...
Journal of computational chemistry 33 (3), 340-353, 2012
862012
New interaction parameters for oxygen compounds in the GROMOS force field: Improved pure-liquid and solvation properties for alcohols, ethers, aldehydes, ketones, carboxylic …
BAC Horta, PFJ Fuchs, WF van Gunsteren, PH Hünenberger
Journal of chemical theory and computation 7 (4), 1016-1031, 2011
852011
A GROMOS-compatible force field for small organic molecules in the condensed phase: The 2016H66 parameter set
BAC Horta, PT Merz, PFJ Fuchs, J Dolenc, S Riniker, PH Hünenberger
Journal of chemical theory and computation 12 (8), 3825-3850, 2016
432016
A GROMOS parameter set for vicinal diether functions: properties of polyethyleneoxide and polyethyleneglycol
PFJ Fuchs, HS Hansen, PH Hünenberger, BAC Horta
Journal of chemical theory and computation 8 (10), 3943-3963, 2012
432012
Proteínas quinases: características estruturais e inibidores químicos
BV Silva, BAC Horta, RB Alencastro, AC Pinto
Quim. Nova 32 (2), 453-462, 2009
392009
Association of the anti-tuberculosis drug rifampicin with a PAMAM dendrimer
RG Bellini, AP Guimarães, MAC Pacheco, DM Dias, VR Furtado, ...
Journal of Molecular Graphics and Modelling 60, 34-42, 2015
362015
Origin of the spectral shifts among the early intermediates of the rhodopsin photocycle
P Campomanes, M Neri, BAC Horta, UF Röhrig, S Vanni, I Tavernelli, ...
Journal of the American Chemical Society 136 (10), 3842-3851, 2014
352014
Quantitative structure-activity relationships of antioxidant phenolic compounds.
LVB Hoelz, BAC Horta, JQ Araújo, MG Albuquerque, RB de Alencastro, ...
Journal of Chemical and Pharmaceutical Research 2 (5), 291-306, 2010
352010
The flavivirus capsid protein: Structure, function and perspectives towards drug design
ERA Oliveira, R Mohana-Borges, RB de Alencastro, BAC Horta
Virus research 227, 115-123, 2017
332017
Engineered monomeric human histidine triad nucleotide-binding protein 1 hydrolyzes fluorogenic acyl-adenylate and lysyl-tRNA synthetase-generated lysyl-adenylate
TF Chou, IB Tikh, BAC Horta, B Ghosh, RB De Alencastro, CR Wagner
Journal of Biological Chemistry 282 (20), 15137-15147, 2007
322007
Interaction of the disaccharides trehalose and gentiobiose with lipid bilayers: a comparative molecular dynamics study
BAC Horta, L Perić-Hassler, PH Hünenberger
Journal of Molecular Graphics and Modelling 29 (3), 331-346, 2010
312010
Simulating the transition between gel and liquid-crystal phases of lipid bilayers: dependence of the transition temperature on the hydration level
BAC Horta, AH de Vries, PH Hünenberger
Journal of chemical theory and computation 6 (8), 2488-2500, 2010
292010
Dynamical behavior of the vascular endothelial growth factor: biological implications
BAC Horta, JJV Cirino, RB de Alencastro
Proteins: Structure, Function, and Bioinformatics 67 (3), 517-525, 2007
152007
Chiral Chlorohydrins from the biocatalyzed reduction of Chloroketones: chiral building blocks for antiretroviral drugs
AS de Miranda, RC Simon, B Grischek, GC de Paula, BAC Horta, ...
ChemCatChem 7 (6), 984-992, 2015
132015
The Isobutylene− Isobutane Alkylation Process in Liquid HF Revisited
PM Esteves, CL Araújo, BAC Horta, LJ Alvarez, CM Zicovich-Wilson, ...
The Journal of Physical Chemistry B 109 (26), 12946-12955, 2005
132005
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 …
BAC Horta, Z Lin, W Huang, S Riniker, WF Van Gunsteren, ...
Journal of computational chemistry 33 (24), 1907-1917, 2012
122012
Langmuir films and mechanical properties of polyethyleneglycol fatty acid esters at the air-water interface
S Ortiz-Collazos, YMH Gonçalves, BAC Horta, PHS Picciani, SRW Louro, ...
Colloids and Surfaces A: Physicochemical and Engineering Aspects 498, 50-57, 2016
102016
Temperature dependence of the dielectric permittivity of acetic acid, propionic acid and their methyl esters: a molecular dynamics simulation study
S Riniker, BAC Horta, B Thijssen, S Gupta, WF van Gunsteren, ...
ChemPhysChem 13 (5), 1182-1190, 2012
92012
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Articles 1–20