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Bruno A. C. Horta
Bruno A. C. Horta
Professor do Instituto de Química, Universidade Federal do Rio de Janeiro
Подтвержден адрес электронной почты в домене iq.ufrj.br - Главная страница
Название
Процитировано
Процитировано
Год
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
2012011
MKTOP: a program for automatic construction of molecular topologies
AAST Ribeiro, BAC Horta, RB Alencastro
Journal of the Brazilian Chemical Society 19, 1433-1435, 2008
1672008
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
1492016
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
1352011
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
1182012
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
1042017
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
882015
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
742012
Proteínas quinases: características estruturais e inibidores químicos
BV Silva, BAC Horta, RB Alencastro, AC Pinto
Química nova 32, 453-462, 2009
712009
Quantitative structure-activity relationships of antioxidant phenolic compounds.
LVB Hoelz, BAC Horta, JQ Araújo, MG Albuquerque, RB Alencastro, ...
582010
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
452014
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
442007
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
402010
Evaluating classical force fields against experimental cross-solvation free energies
S Kashefolgheta, MP Oliveira, SR Rieder, BAC Horta, WE Acree Jr, ...
Journal of chemical theory and computation 16 (12), 7556-7580, 2020
372020
Influence of the treatment of nonbonded interactions on the thermodynamic and transport properties of pure liquids calculated using the 2016H66 force field
YMH Goncalves, C Senac, PFJ Fuchs, PH Hunenberger, BAC Horta
Journal of chemical theory and computation 15 (3), 1806-1826, 2019
332019
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
332010
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
302015
Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes?
GCQ da Silva, GM Silva, FW Tavares, FP Fleming, BAC Horta
Journal of Molecular Modeling 26, 1-17, 2020
292020
Systematic optimization of a fragment-based force field against experimental pure-liquid properties considering large compound families: Application to saturated haloalkanes
MP Oliveira, M Andrey, SR Rieder, L Kern, DF Hahn, S Riniker, ...
Journal of chemical theory and computation 16 (12), 7525-7555, 2020
282020
Molecular dynamics simulations of PAMAM and PPI dendrimers using the GROMOS-Compatible 2016H66 Force Field
MC Ramos, VAC Horta, BAC Horta
Journal of chemical information and modeling 59 (4), 1444-1457, 2019
262019
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