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"A free-energy perturbation method based on Monte Carlo simulations using ..."
Kenji Hori et al. (2011)
- Kenji Hori, Toru Yamaguchi, Keita Uezu, Michinori Sumimoto:
A free-energy perturbation method based on Monte Carlo simulations using quantum mechanical calculations (QM/MC/FEP method): Application to highly solvent-dependent reactions. J. Comput. Chem. 32(5): 778-786 (2011)
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