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F1000Research
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January 16, 2019
Challenges in the use of atomistic simulations to predict solubilities of drug-like molecules
Guilherme Duarte Ramos Matos, David L Mobley
Journal of Chemical Information and Modeling
|
September 12, 2023
Descriptor-Driven de Novo Design Algorithms for DOCK6 Using RDKit
Guilherme Duarte Ramos Matos, Steven Pak, Robert C Rizzo
Journal of Chemical Theory and Computation
|
April 3, 2019
Infinite Dilution Activity Coefficients as Constraints for Force Field Parametrization and Method Development
Guilherme Duarte Ramos Matos, Gaetano Calabrò, David L Mobley
Journal of Chemical Theory and Computation
|
October 6, 2018
Reproducibility of Free Energy Calculations across Different Molecular Simulation Software Packages
Hannes H Loeffler, Stefano Bosisio, Guilherme Duarte Ramos Matos, et al.
ACS Omega
|
March 30, 2026
Solvent Effects on the Photophysical Properties of Unexplored Imidazo[1,2‑<i>a</i>]pyridine Derivatives
Victor H Justino Garcia Praciano, Luan A Martinho, Guilherme Duarte Ramos Matos, et al.
Journal of Chemical and Engineering Data
|
October 24, 2017
Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database
Guilherme Duarte Ramos Matos, Daisy Y Kyu, Hannes H Loeffler, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
F1000Research
|
January 16, 2019
Challenges in the use of atomistic simulations to predict solubilities of drug-like molecules
Guilherme Duarte Ramos Matos, David L Mobley
Journal of Chemical Information and Modeling
|
September 12, 2023
Descriptor-Driven de Novo Design Algorithms for DOCK6 Using RDKit
Guilherme Duarte Ramos Matos, Steven Pak, Robert C Rizzo
Journal of Chemical Theory and Computation
|
April 3, 2019
Infinite Dilution Activity Coefficients as Constraints for Force Field Parametrization and Method Development
Guilherme Duarte Ramos Matos, Gaetano Calabrò, David L Mobley
Journal of Chemical Theory and Computation
|
October 6, 2018
Reproducibility of Free Energy Calculations across Different Molecular Simulation Software Packages
Hannes H Loeffler, Stefano Bosisio, Guilherme Duarte Ramos Matos, et al.
ACS Omega
|
March 30, 2026
Solvent Effects on the Photophysical Properties of Unexplored Imidazo[1,2‑<i>a</i>]pyridine Derivatives
Victor H Justino Garcia Praciano, Luan A Martinho, Guilherme Duarte Ramos Matos, et al.
Journal of Chemical and Engineering Data
|
October 24, 2017
Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database
Guilherme Duarte Ramos Matos, Daisy Y Kyu, Hannes H Loeffler, et al.
Page
of 1