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"SAMPL6 Octanol-water partition coefficients from alchemical free energy ..."

Maximiliano Riquelme, Esteban Vöhringer-Martinez (2020)

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DOI: 10.1007/S10822-020-00281-6

access: closed

type: Journal Article

metadata version: 2020-05-30

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Maximiliano Riquelme, Esteban Vöhringer-Martinez:
SAMPL6 Octanol-water partition coefficients from alchemical free energy calculations with MBIS atomic charges. J. Comput. Aided Mol. Des. 34(4): 327-334 (2020)

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