A Simple Method for Including Polarization Effects in Solvation Free Energy Calculations When Using Fixed-Charge Force Fields: Alchemically Polarized Charges

Bibliographic Details
Main Authors: Braden D. Kelly, William R. Smith
Format: Article
Language:English
Published: American Chemical Society 2020-07-01
Series:ACS Omega
Online Access:https://doi.org/10.1021/acsomega.0c01148