"An interoperable implementation of collective-variable based enhanced ..."

Shitanshu Bajpai et al. (2023)

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DOI: 10.1002/JCC.27182

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type: Journal Article

metadata version: 2023-09-24

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Shitanshu Bajpai, Brian K. Petkov, Muchen Tong, Charlles R. A. Abreu, Nisanth N. Nair, Mark E. Tuckerman:
An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package. J. Comput. Chem. 44(28): 2166-2183 (2023)

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