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"Role of Water Molecules in Protein-Ligand Dissociation and Selectivity ..."

Tobias Hüfner-Wulsdorf, Gerhard Klebe (2020)

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DOI: 10.1021/ACS.JCIM.0C00156

access: closed

type: Journal Article

metadata version: 2021-10-14

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  - journals/jcisd/Hufner-Wulsdorf20a
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  - https://dblp.org/rec/journals/jcisd/Hufner-Wulsdorf20a
Tobias Hüfner-Wulsdorf, Gerhard Klebe:
Role of Water Molecules in Protein-Ligand Dissociation and Selectivity Discrimination: Analysis of the Mechanisms and Kinetics of Biomolecular Solvation Using Molecular Dynamics. J. Chem. Inf. Model. 60(3): 1818-1832 (2020)

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