2021 journal article

Uncertainty Quantification and Sensitivity Analysis of Partial Charges on Macroscopic Solvent Properties in Molecular Dynamics Simulations with a Machine Learning Model

Journal of Chemical Information and Modeling, 3.

By: J. Peerless, A. Kwansa, B. Hawkins, R. Smith & Y. Yingling

Source: ORCID
Added: March 18, 2021