Duván González

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 3

Top Topics

Expectation Maximization

Computer Systems

Top Venues

J. Chem. Inf. Model.

Publications

Luis Macaya, Duván González, Esteban Vöhringer-Martinez
Nonbonded Force Field Parameters from MBIS Partitioning of the Molecular Electron Density Improve Binding Affinity Predictions of the T4-Lysozyme Double Mutant. J. Chem. Inf. Model. 64 (8) (2024)
Duván González, Luis Macaya, Carlos Castillo-Orellana, Toon Verstraelen, Stefan Vogt-Geisse, Esteban Vöhringer-Martinez
Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder Partitioning of the Molecular Electron Density Improve CB7 Host-Guest Affinity Predictions. J. Chem. Inf. Model. 62 (17) (2022)
Duván González, Luis Macaya, Esteban Vöhringer-Martinez
Molecular Environment-Specific Atomic Charges Improve Binding Affinity Predictions of SAMPL5 Host-Guest Systems. J. Chem. Inf. Model. 61 (9) (2021)