Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields.
Ganesh KamathIgor KurnikovBoris FainIgor V. LeontyevAlexey A. IllarionovOleg ButinMichael A. OlevanovLeonid B. PereyaslavetsPublished in: J. Comput. Aided Mol. Des. (2016)