"The SAMPL4 hydration challenge: evaluation of partial charge sets with ..."

Hari S. Muddana et al. (2014)

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DOI: 10.1007/S10822-014-9714-6

access: closed

type: Journal Article

metadata version: 2020-04-16

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Hari S. Muddana, Neil V. Sapra, Andrew T. Fenley, Michael K. Gilson:
The SAMPL4 hydration challenge: evaluation of partial charge sets with explicit-water molecular dynamics simulations. J. Comput. Aided Mol. Des. 28(3): 277-287 (2014)

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