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Vina-Carb: Improving Glycosidic Angles during Carbohydrate Docking

Molecular docking programs are primarily designed to align rigid, drug-like fragments into the binding sites of macromolecules and frequently display poor performance when applied to flexible carbohydrate molecules. A critical source of flexibility within an oligosaccharide is the glycosidic linkage...

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Bibliografiske detaljer
Udgivet i:J Chem Theory Comput
Main Authors: Nivedha, Anita K., Thieker, David F., Makeneni, Spandana, Hu, Huimin, Woods, Robert J.
Format: Artigo
Sprog:Inglês
Udgivet: 2016
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5140039/
https://ncbi.nlm.nih.gov/pubmed/26744922
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00834
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