"CHARMM-GUI Drude prepper for molecular dynamics simulation using the ..."

Abhishek A. Kognole et al. (2022)

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DOI: 10.1002/JCC.26795

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type: Journal Article

metadata version: 2023-03-21

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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:
CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field. J. Comput. Chem. 43(5): 359-375 (2022)

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