Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge

Caitlin C. Bannan, Kalistyn H. Burley, Michael Chiu, Michael R. Shirts, Michael K. Gilson, David L. Mobley. Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge. Journal of Computer-Aided Molecular Design, 30(11):927-944, 2016. [doi]

Authors

Caitlin C. Bannan

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Kalistyn H. Burley

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Michael Chiu

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Michael R. Shirts

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Michael K. Gilson

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David L. Mobley

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