"SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular ..."

Lane W. Votapka et al. (2022)

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DOI: 10.1021/ACS.JCIM.2C00501

access: open

type: Journal Article

metadata version: 2023-05-31

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Lane W. Votapka, Andrew M. Stokely, Anupam Anand Ojha, Rommie E. Amaro:
SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics Engine. J. Chem. Inf. Model. 62(13): 3253-3262 (2022)

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