Bruno A. C. Horta - Publications, H-index & Citations

Bruno A. C. Horta

swiss federal institutes of technology domain

23H指数

86论文数

1.9K被引数

收录论文 33

发表时间

gmak: A Parameter-Space Mapping Strategy for Force-Field Calibration

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-01-12

PREAI

Goncalves, Yan M. H.; Horta, Bruno A. C.

Comparison of the United- and All-Atom Representations of (Halo)alkanes Based on Two Condensed-Phase Force Fields Optimized against the Same Experimental Data Set

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-10-03

OAAI

Oliveira, Marina P.; Goncalves, Yan M. H.; Gheta, S. Kashef Ol; Rieder, Salome R.; Horta, Bruno A. C.; Huenenberger, Philippe H.

Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes? 2. A systematic study considering different chain lengths

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2022-05-01

PREAI

da Silva, Guilherme C. Q.; Silva, Gabriel M.; Tavares, Frederico W.; Fleming, Felipe P.; Horta, Bruno A. C.

Simultaneous parametrization of torsional and third-neighbor interaction terms in force-field development: The LLS-SC algorithm

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2022-02-08

PREAI

Goncalves, Yan M. H.; Kashefolgheta, Sadra; Oliveira, Marina P.; Hunenberger, Philippe H.; Horta, Bruno A. C.

Experimental and theoretical studies of isonitrosoacetanilides derivatives as corrosion inhibitors for mild steel in 1 mol L-1 HCl

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2021-12-01

PREAI

de Sousa Rodrigues, Francisco Alexandre; Henriques Goncalves, Yan Marques; Cautiero Horta, Bruno Araujo; Santos, Iara da Silva; Silva, Barbara, V; D'Elia, Eliane

pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2021-04-05

PREAI

Ramos, Mayk C.; Quoika, Patrick K.; Horta, Vitor A. C.; Dias, Douglas M.; Costa, Elan G.; do Amaral, Jorge L. M.; Ribeiro, Luigi M.; Liedl, Klaus R.; Horta, Bruno A. C.

Effects of paraffin, fatty acid and long alkyl chain phenol on the solidification of n-hexadecane under harsh subcooling condition: A molecular dynamics simulation study

FUEL

IF7.5

2021-02-01

PREAI

da Silva, Guilherme C. Q.; Oliveira, Fernanda G.; de Souza, Wladmir F.; de Oliveira, Marcia C. K.; Esteves, Pierre M.; Horta, Bruno A. C.

Drug-Loading Capacity of PAMAM Dendrimers Encapsulating Quercetin Molecules: A Molecular Dynamics Study with the 2016H66 Force Field

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2021-01-27

PREAI

Ramos, Mayk C.; Horta, Bruno A. C.

Emission redshift in DCM2-doped Alq3 caused by nonlinear Stark shifts and Forster-mediated exciton diffusion

PHYSICAL REVIEW B

IF3.7

2020-12-01

OAAI

Candiotto, Graziani; Giro, Ronaldo; Horta, Bruno A. C.; Rosselli, Flavia P.; de Cicco, Marcelo; Achete, Carlos A.; Cremona, Marco; Capaz, Rodrigo B.

Systematic Optimization of a Fragment-Based Force Field against Experimental Pure-Liquid Properties Considering Large Compound Families: Application to Saturated Haloalkanes

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-11-24

OAAI

Oliveira, Marina P.; Andrey, Maurice; Rieder, Salome R.; Kern, Leyla; Hahn, David F.; Riniker, Sereina; Horta, Bruno A. C.; Huenenberger, Philippe H.

Evaluating Classical Force Fields against Experimental Cross-Solvation Free Energies

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-11-04

OAAI

Kashefolgheta, Sadra; Oliveira, Marina P.; Rieder, Salome R.; Horta, Bruno A. C.; Acree, William E., Jr.; Hunenberger, Philippe H.

Effects of additives on oil displacement in nanocapillaries: A mesoscale simulation study 添加剂对纳米毛细管驱油的影响: 中尺度模拟研究

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2020-08-01

OAAI

da Silva, Guilherme C. Q.; Giro, Ronaldo; Horta, Bruno A. C.; Neumann, Rodrigo F.; Engel, Michael; Steiner, Mathias B.

Predicting the Miscibility and Rigidity of Poly(lactic-co-glycolic acid)/Polyethylene Glycol Blends via Molecular Dynamics Simulations

MACROMOLECULES

IF5.2

2020-05-12

OAAI

Pannuzzo, Martina; Horta, Bruno A. C.; La Rosa, Carmelo; Decuzzi, Paolo

Self-diffusion coefficients of methane/n-hexane mixtures at high pressures: An evaluation of the finite-size effect and a comparison of force fields

JOURNAL OF SUPERCRITICAL FLUIDS

IF4.4

2020-01-01

PREAI

dos Santos, Thiago J. P.; Abreu, Charlles R. A.; Horta, Bruno A. C.; Tavares, Frederico W.

gem-Dichlorocyclopropanation of Dicarbonyl Derivatives

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2019-12-03

PREAI

Batista, Gabriel M. F.; De Castro, Pedro P.; Carpanez, Arthur G.; Horta, Bruno A. C.; Amarante, Giovanni W.

Molecular Dynamics Simulations of PAMAM and PPI Dendrimers Using the GROMOS-Compatible 2016H66 Force Field

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2019-03-15

PREAI

Ramos, Mayk C.; Horta, Vitor A. C.; Horta, Bruno A. C.

Influence of the Treatment of Nonbonded Interactions on the Thermodynamic and Transport Properties of Pure Liquids Calculated Using the 2016H66 Force Field

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-01-18

PREAI

Goncalves, Yan M. H.; Senac, Caroline; Fuchs, Patrick F. J.; Hunenberger, Philippe H.; Horta, Bruno A. C.

New Polymorph Form of Dexamethasone Acetate

JOURNAL OF PHARMACEUTICAL SCIENCES

IF3.8

2018-02-01

PREAI

da Silva, Ronaldo Pedro; Schuchter Ambrosio, Mateus Felipe; Piovesan, Luciana Almeida; Ramalho Freitas, Maria Clara; Marques de Aguiar, Daniel Lima; Cautiero Horta, Bruno Araujo; Epprecht, Eugenio Kahn; da Silva San Gil, Rosane Aguiar; Visentin, Lorenzo do Canto

New insights into flavivirus biology: the influence of pH over interactions between prM and E proteins

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2017-10-24

PREAI

Oliveira, Edson R. A.; de Alencastro, Ricardo B.; Horta, Bruno A. C.

Simulating Bilayers of Nonionic Surfactants with the GROMOS-Compatible 2016H66 Force Field

LANGMUIR

IF3.9

2017-09-20

PREAI

Senac, Caroline; Urbach, Wladimir; Kurtisovski, Erol; Hunenberger, Philippe H.; Horta, Bruno A. C.; Taulier, Nicolas; Fuchs, Patrick F. J.

研究方向