CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field

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Abhishek A. Kognole, Jumin Lee, Sang-Jun Park, Sunhwan Jo, Payal Chatterjee, Justin A. Lemkul, Jing Huang, Alexander D. MacKerell Jr., Wonpil Im

Published: 01 Jan 2022, Last Modified: 13 May 2025J. Comput. Chem. 2022EveryoneRevisionsBibTeXCC BY-SA 4.0