Ion modeling and ligand-protein binding calculation with a polarizable force field
Specific recognition of ligands including metal ions by proteins is the key of many crucial biological functions and systems. Accurate prediction of the binding strength not only sheds light on the mechanism of the molecular recognition but also provides the most important prerequisite of drug disco...
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| Format: | Others |
| Language: | English |
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2012
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| Online Access: | http://hdl.handle.net/2152/18641 |