"Prediction of hydration free energies for the SAMPL4 diverse set of ..."

Oliver Beckstein, Anaïs Fourrier, Bogdan I. Iorga (2014)

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DOI: 10.1007/S10822-014-9727-1

access: closed

type: Journal Article

metadata version: 2020-04-16

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Oliver Beckstein, Anaïs Fourrier, Bogdan I. Iorga:
Prediction of hydration free energies for the SAMPL4 diverse set of compounds using molecular dynamics simulations with the OPLS-AA force field. J. Comput. Aided Mol. Des. 28(3): 265-276 (2014)

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