Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations
نویسندگان
چکیده
منابع مشابه
Editorial Protein - Carbohydrate Interactions , and Beyond ...
Carbohydrates are ubiquitous and play an intriguing role inside the cell as well as on the cell surface. In addition to being part of glycan structures on glycoproteins, glycolipids or peptidoglycans, carbohydrates also occur as mono-and polysaccharides. Over the last decade, evidence has accumulated indicating that interactions between carbohydrates and particular proteins that recognize them ...
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The current thesis presents work on the structure and dynamics of oligosaccharides and polysaccharides as well as the free energetics of carbohydrate-protein interactions. By applying various computational tools such as molecular dynamics simulations, our in-house fast sugar structure prediction software, replica exchange molecular dynamics, homology modeling, umbrella sampling, steered molecul...
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The recognition of saccharides by proteins has far reaching implications in biology, technology, and drug design. Within the past two decades, researchers have directed considerable effort toward a detailed understanding of these processes. Early crystallographic studies revealed, not surprisingly, that hydrogen-bonding interactions are usually involved in carbohydrate recognition. But less exp...
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While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between ...
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ژورنال
عنوان ژورنال: International Journal of Biological Macromolecules
سال: 2020
ISSN: 0141-8130
DOI: 10.1016/j.ijbiomac.2020.03.251