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"Relative solvation free energies calculated using an ab initio QM/MM-based ..."
M. Rami Reddy, Mark D. Erion (2009)
- 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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