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"Binding free energies in the SAMPL5 octa-acid host-guest challenge ..."

Octav Caldararu et al. (2017)

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DOI: 10.1007/S10822-016-9957-5

access: open

type: Journal Article

metadata version: 2020-04-16

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  - journals/jcamd/CaldararuORNR17
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  - https://dblp.org/rec/journals/jcamd/CaldararuORNR17
Octav Caldararu, Martin A. Olsson, Christoph Riplinger, Frank Neese, Ulf Ryde:
Binding free energies in the SAMPL5 octa-acid host-guest challenge calculated with DFT-D3 and CCSD(T). J. Comput. Aided Mol. Des. 31(1): 87-106 (2017)

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