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"Extensive all-atom Monte Carlo sampling and QM/MM corrections in the ..."

Samuel Genheden et al. (2014)

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DOI: 10.1007/S10822-014-9717-3

access: closed

type: Journal Article

metadata version: 2020-04-16

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  - https://dblp.org/rec/journals/jcamd/GenhedenMCE14
Samuel Genheden, Ana I. Cabedo Martinez, Michael P. Criddle, Jonathan W. Essex:
Extensive all-atom Monte Carlo sampling and QM/MM corrections in the SAMPL4 hydration free energy challenge. J. Comput. Aided Mol. Des. 28(3): 187-200 (2014)

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