A Simple Method for Including Polarization Effects in Solvation Free Energy Calculations When Using Fixed-Charge Force Fields: Alchemically Polarized Charges
Main Authors: | , |
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Format: | Article |
Language: | English |
Published: |
American Chemical Society
2020-07-01
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Series: | ACS Omega |
Online Access: | https://doi.org/10.1021/acsomega.0c01148 |