Predicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields

Ye Ding, You Xu, Cheng Qian, Jinfeng Chen, Jian Zhu, Houhou Huang, Yi Shi, Jing Huang 0004. Predicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields. Journal of Computer-Aided Molecular Design, 34(4):421-435, 2020. [doi]

Authors

Ye Ding

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You Xu

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Cheng Qian

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Jinfeng Chen

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Jian Zhu

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Houhou Huang

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Yi Shi

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Jing Huang 0004

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