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"The SAMPL5 host-guest challenge: computing binding free energies and ..."
Jian Yin et al. (2017)
- Jian Yin, Niel M. Henriksen, David R. Slochower, Michael K. Gilson:
The SAMPL5 host-guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method. J. Comput. Aided Mol. Des. 31(1): 133-145 (2017)
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