"Absolute and relative pK a predictions via a DFT approach applied to the ..."

Qiao Zeng, Michael R. Jones, Bernard R. Brooks (2018)

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DOI: 10.1007/S10822-018-0150-X

access: closed

type: Journal Article

metadata version: 2020-05-30

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Qiao Zeng, Michael R. Jones, Bernard R. Brooks:
Absolute and relative pK a predictions via a DFT approach applied to the SAMPL6 blind challenge. J. Comput. Aided Mol. Des. 32(10): 1179-1189 (2018)

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