Docking glycosaminoglycans to proteins: analysis of solvent inclusion
نویسندگان
چکیده
منابع مشابه
Docking glycosaminoglycans to proteins: analysis of solvent inclusion
Glycosaminoglycans (GAGs) are anionic polysaccharides, which participate in key processes in the extracellular matrix by interactions with protein targets. Due to their charged nature, accurate consideration of electrostatic and water-mediated interactions is indispensable for understanding GAGs binding properties. However, solvent is often overlooked in molecular recognition studies. Here we a...
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ژورنال
عنوان ژورنال: Journal of Computer-Aided Molecular Design
سال: 2011
ISSN: 0920-654X,1573-4951
DOI: 10.1007/s10822-011-9433-1