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"Blind prediction of distribution in the SAMPL5 challenge with QM based ..."

Frank C. Pickard IV et al. (2016)

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DOI: 10.1007/S10822-016-9955-7

access: closed

type: Journal Article

metadata version: 2020-04-16

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  - https://dblp.org/rec/journals/jcamd/PickardKTLSSPB16
Frank C. Pickard IV, Gerhard König, Florentina Tofoleanu, Juyong Lee, Andrew C. Simmonett, Yihan Shao, Jay W. Ponder, Bernard R. Brooks:
Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK _a corrections. J. Comput. Aided Mol. Des. 30(11): 1087-1100 (2016)

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