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"Prediction of octanol-water partition coefficients for the SAMPL6-log P ..."

Shujie Fan, Bogdan I. Iorga, Oliver Beckstein (2020)

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DOI: 10.1007/S10822-019-00267-Z

access: closed

type: Journal Article

metadata version: 2021-10-14

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Shujie Fan, Bogdan I. Iorga, Oliver Beckstein:
Prediction of octanol-water partition coefficients for the SAMPL6-log P molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields. J. Comput. Aided Mol. Des. 34(5): 543-560 (2020)

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