Yan M H Gonçalves

Publication Activity (10 Years)

Years Active: 2022-2023
Publications (10 Years): 2

Top Topics

Molecularly Imprinted

Minimally Invasive

Top Venues

Journal of computational chemistry

Journal of chemical theory and computation

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)
Yan M H Gonçalves, Sadra Kashefolgheta, Marina P Oliveira, Philippe H Hünenberger, Bruno A C Horta
Simultaneous parametrization of torsional and third-neighbor interaction terms in force-field development: The LLS-SC algorithm. Journal of computational chemistry 43 (9) (2022)