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"Binding free energies in the SAMPL5 octa-acid host-guest challenge ..."
Octav Caldararu et al. (2017)
- 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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