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

Sebastian Raschka; Alex J. Wolf; Joseph Bemister-Buffington; Leslie A. Kuhn

doi:10.1101/260612

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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

View ORCID ProfileSebastian Raschka, Alex J. Wolf, Joseph Bemister-Buffington, Leslie A. Kuhn

doi: https://doi.org/10.1101/260612

Sebastian Raschka

1Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI 48824, USA

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ORCID record for Sebastian Raschka

Alex J. Wolf

1Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI 48824, USA

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Joseph Bemister-Buffington

1Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI 48824, USA

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Leslie A. Kuhn

1Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI 48824, USA

2Department of Computer Science and Engineering, Michigan State University, East Lansing, MI 48824, USA

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For correspondence: KuhnL@msu.edu

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Posted February 05, 2018.

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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

Sebastian Raschka, Alex J. Wolf, Joseph Bemister-Buffington, Leslie A. Kuhn

bioRxiv 260612; doi: https://doi.org/10.1101/260612

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bioRxiv 260612; doi: https://doi.org/10.1101/260612

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