"grand: A Python Module for Grand Canonical Water Sampling in OpenMM."

Marley L. Samways, Hannah E. Bruce Macdonald, Jonathan W. Essex (2020)

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DOI: 10.1021/ACS.JCIM.0C00648

access: closed

type: Journal Article

metadata version: 2021-09-01

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Marley L. Samways, Hannah E. Bruce Macdonald, Jonathan W. Essex:
grand: A Python Module for Grand Canonical Water Sampling in OpenMM. J. Chem. Inf. Model. 60(10): 4436-4441 (2020)

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