"The SAMPL6 challenge on predicting aqueous pK a values from EC-RISM theory."

Nicolas Tielker et al. (2018)

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DOI: 10.1007/S10822-018-0140-Z

access: closed

type: Journal Article

metadata version: 2020-05-30

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Nicolas Tielker, Lukas Eberlein, Stefan Güssregen, Stefan M. Kast:
The SAMPL6 challenge on predicting aqueous pK a values from EC-RISM theory. J. Comput. Aided Mol. Des. 32(10): 1151-1163 (2018)

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