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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.
Raschka, Sebastian; Wolf, Alex J; Bemister-Buffington, Joseph; Kuhn, Leslie A.
Affiliation
  • Raschka S; Protein Structural Analysis and Design Lab, Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI, 48824-1319, USA.
  • Wolf AJ; Protein Structural Analysis and Design Lab, Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI, 48824-1319, USA.
  • Bemister-Buffington J; Protein Structural Analysis and Design Lab, Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI, 48824-1319, USA.
  • Kuhn LA; Protein Structural Analysis and Design Lab, Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI, 48824-1319, USA. KuhnL@msu.edu.
J Comput Aided Mol Des ; 32(4): 511-528, 2018 04.
Article in En | MEDLINE | ID: mdl-29435780
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Proteins / Models, Molecular Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Comput Aided Mol Des Journal subject: BIOLOGIA MOLECULAR / ENGENHARIA BIOMEDICA Year: 2018 Document type: Article Affiliation country: United States Country of publication: Netherlands
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Proteins / Models, Molecular Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Comput Aided Mol Des Journal subject: BIOLOGIA MOLECULAR / ENGENHARIA BIOMEDICA Year: 2018 Document type: Article Affiliation country: United States Country of publication: Netherlands