"Protein-ligand interfaces are polarized: discovery of a strong trend for ..."

Sebastian Raschka et al. (2018)

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DOI: 10.1007/S10822-018-0105-2

access: closed

type: Journal Article

metadata version: 2020-04-16

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Sebastian Raschka, Alex J. Wolf, Joseph Bemister-Buffington, Leslie A. Kuhn:
Protein-ligand interfaces are polarized: discovery of a strong trend for intermolecular hydrogen bonds to favor donors on the protein side with implications for predicting and designing ligand complexes. J. Comput. Aided Mol. Des. 32(4): 511-528 (2018)

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