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"Predicting partition coefficients of drug-like molecules in the SAMPL6 ..."

Ye Ding et al. (2020)

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DOI: 10.1007/S10822-020-00282-5

access: closed

type: Journal Article

metadata version: 2023-09-30

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Ye Ding, You Xu, Cheng Qian, Jinfeng Chen, Jian Zhu, Houhou Huang, Yi Shi, Jing Huang:
Predicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields. J. Comput. Aided Mol. Des. 34(4): 421-435 (2020)

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