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

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

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