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Overview of the SAMPL6 pK a challenge: evaluating small molecule microscopic and macroscopic pK a predictions

Journal of computer-aided molecular design, 2021-02, Vol.35 (2), p.131 [Peer Reviewed Journal]

EISSN: 1573-4951 ;DOI: 10.1007/s10822-020-00362-6 ;PMID: 33394238

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