Parameterization of a drug molecule with a halogen σ-hole...

Parameterization of a drug molecule with a halogen σ-hole particle using ffTK: Implementation, testing, and comparison

Pang, Yui Tik, Pavlova, Anna, Tajkhorshid, Emad, Gumbart, James C.
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Volume:
153
Journal:
The Journal of Chemical Physics
DOI:
10.1063/5.0022802
Date:
October, 2020
File:
PDF, 2.95 MB
2020
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