"Prediction of cyclohexane-water distribution coefficient for SAMPL5 ..."

Ganesh Kamath et al. (2016)

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DOI: 10.1007/S10822-016-9958-4

access: closed

type: Journal Article

metadata version: 2020-04-16

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Ganesh Kamath, Igor Kurnikov, Boris Fain, Igor V. Leontyev, Alexey A. Illarionov, Oleg Butin, Michael A. Olevanov, Leonid B. Pereyaslavets:
Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields. J. Comput. Aided Mol. Des. 30(11): 977-988 (2016)

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