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SAMPL7 physical property prediction from EC-RISM theory |
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| Authors: | Tielker Nicolas Güssregen Stefan Kast Stefan M. |
| Affiliation: | 1.Physikalische Chemie III, Technische Universit?t Dortmund, Otto-Hahn-Str. 4a, 44227, Dortmund, Germany ;2.Sanofi-Aventis Deutschland GmbH, R&D Integrated Drug Discovery, 65926, Frankfurt am Main, Germany ; |
| Abstract: | Journal of Computer-Aided Molecular Design - Inspired by the successful application of the embedded cluster reference interaction site model (EC-RISM), a combination of quantum–mechanical... |
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