Modeling the interaction and energetics of biological molecules with a polarizable force field
Accurate prediction of protein-ligand binding affinity is essential to computational drug discovery. Current approaches are limited by the accuracy of the underlying potential energy model that describes atomic interactions. A more rigorous physical model is critical for evaluating molecular interac...
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| Format: | Others |
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2014
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| Online Access: | http://hdl.handle.net/2152/25147 |