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"Relative solvation free energies calculated using an ab initio QM/MM-based ..."

M. Rami Reddy, Mark D. Erion (2009)

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DOI: 10.1007/S10822-009-9300-5

access: closed

type: Journal Article

metadata version: 2020-04-16

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M. Rami Reddy, Mark D. Erion:
Relative solvation free energies calculated using an ab initio QM/MM-based free energy perturbation method: dependence of results on simulation length. J. Comput. Aided Mol. Des. 23(12): 837-843 (2009)

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