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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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| Udgivet i: | J Chem Theory Comput |
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| Main Authors: | , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2016
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| 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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