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"SAMPL6: calculation of macroscopic pK a values from ab initio quantum ..."

Edithe Selwa et al. (2018)

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DOI: 10.1007/S10822-018-0138-6

access: closed

type: Journal Article

metadata version: 2020-04-16

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Edithe Selwa, Ian M. Kenney, Oliver Beckstein, Bogdan I. Iorga:
SAMPL6: calculation of macroscopic pK a values from ab initio quantum mechanical free energies. J. Comput. Aided Mol. Des. 32(10): 1203-1216 (2018)

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