Parameterization of a drug molecule with a halogen Ï-hole particle using ffTK: Implementation, testing, and comparison
Pang, Yui Tik, Pavlova, Anna, Tajkhorshid, Emad, Gumbart, James C.Volume:
153
Journal:
The Journal of Chemical Physics
DOI:
10.1063/5.0022802
Date:
October, 2020
File:
PDF, 2.95 MB
2020