"Prediction of cyclohexane-water distribution coefficients for the SAMPL5 ..."

Ian M. Kenney, Oliver Beckstein, Bogdan I. Iorga (2016)

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DOI: 10.1007/S10822-016-9949-5

access: closed

type: Journal Article

metadata version: 2020-04-16

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Ian M. Kenney, Oliver Beckstein, Bogdan I. Iorga:
Prediction of cyclohexane-water distribution coefficients for the SAMPL5 data set using molecular dynamics simulations with the OPLS-AA force field. J. Comput. Aided Mol. Des. 30(11): 1045-1058 (2016)

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