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"Predicting hydration free energies with a hybrid QM/MM approach: an ..."

Gerhard König et al. (2014)

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DOI: 10.1007/S10822-014-9708-4

access: closed

type: Journal Article

metadata version: 2020-04-16

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  - https://dblp.org/rec/journals/jcamd/KonigPMB14
Gerhard König, Frank C. Pickard IV, Ye Mei, Bernard R. Brooks:
Predicting hydration free energies with a hybrid QM/MM approach: an evaluation of implicit and explicit solvation models in SAMPL4. J. Comput. Aided Mol. Des. 28(3): 245-257 (2014)

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