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

Understanding how proteins encode ligand specificity is fascinating and similar in importance to deciphering the genetic code. For protein-ligand recognition, the combination of an almost infinite variety of interfacial shapes and patterns of chemical groups makes the problem especially challenging....

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Bibliographic Details
Published in:Journal of computer-aided molecular design, Vol. 32, No. 4 (2018), p. 511-528
Main Author: Raschka, Sebastian
Other Involved Persons: Wolf, Alex J ; Bemister-Buffington, Joseph ; Kuhn, Leslie A
Format: electronic Article
Language:English
ISSN:1573-4951
Item Description:Date Revised 29.03.2019
published: Print-Electronic
Citation Status In-Process
Copyright: From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Physical Description:Online-Ressource
DOI:10.1007/s10822-018-0105-2
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