Bruno A C Horta

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 11

Top Topics

Single Molecule

Machine Learning

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

Journal of computer-aided molecular design

This page only lists publications with an associated author ORCID identifier.

Publications

Yan M H Gonçalves, Bruno A C Horta
gmak: A Parameter-Space Mapping Strategy for Force-Field Calibration. Journal of chemical theory and computation (2023)
Iris S Teixeira, André B Farias, Bruno A C Horta, Humberto M S Milagre, Rodrigo O M A de Souza, Uwe T Bornscheuer, Cintia D F Milagre
Computer Modeling Explains the Structural Reasons for the Difference in Reactivity of Amine Transaminases Regarding Prochiral Methylketones. International journal of molecular sciences 23 (2) (2022)
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. Journal of chemical information and modeling 61 (2) (2021)
Mayk C Ramos, Patrick K Quoika, Vitor A C Horta, Douglas M Dias, Elan G Costa, Jorge L M do Amaral, Luigi M Ribeiro, Klaus Roman Liedl, Bruno A C Horta
pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules. Journal of chemical information and modeling 61 (4) (2021)
Sadra Kashefolgheta, Marina P Oliveira, Salomé R Rieder, Bruno A C Horta, William E Acree, Philippe H Hünenberger
Evaluating Classical Force Fields against Experimental Cross-Solvation Free Energies. Journal of chemical theory and computation 16 (12) (2020)
Marina P Oliveira, Maurice Andrey, Salomé R Rieder, Leyla Kern, David F Hahn, Sereina Riniker, Bruno A C Horta, Philippe H Hünenberger
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 16 (12) (2020)
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. Journal of chemical information and modeling 59 (4) (2019)
Yan M H Gonçalves, Caroline Senac, Patrick F J Fuchs, Philippe H Hünenberger, Bruno A C Horta
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 15 (3) (2019)
Katlyn S David, Edson R A Oliveira, Bruno A C Horta, Ana P Valente, Viviane S De Paula
Insights into CC Chemokine Ligand 2/Chemokine Receptor 2 Molecular Recognition: A Step Forward toward Antichemotactic Agents. Biochemistry 56 (25) (2017)
Caroline Senac, Wladimir Urbach, Erol Kurtisovski, Philippe H Hünenberger, Bruno A C Horta, Nicolas Taulier, Patrick F J Fuchs
Simulating Bilayers of Nonionic Surfactants with the GROMOS-Compatible 2016H66 Force Field. Langmuir : the ACS journal of surfaces and colloids 33 (39) (2017)
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. Journal of computer-aided molecular design 31 (11) (2017)