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Assessment of Multiple Binding Modes in Ligand−Protein Docking

✍ Scribed by Källblad, Per; Mancera, Ricardo L.; Todorov, Nikolay P.


Book ID
124094182
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
247 KB
Volume
47
Category
Article
ISSN
0022-2623

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## Abstract Present docking methodologies simulate only one single ligand at a time during docking process. In reality, the molecular recognition process always involves multiple molecular species. Typical protein–ligand interactions are, for example, substrate and cofactor in catalytic cycle; meta