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Explicit/implicit partitioning and a new explicit form of the generalized alpha method

✍ Scribed by Daniel, W. J. T.

Publisher: John Wiley and Sons
Year: 2003
Tongue: English
Weight: 116 KB
Volume: 19
Category: Article
ISSN: 1069-8299
DOI: 10.1002/cnm.640

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## Abstract Solvent effects play a crucial role in mediating the interactions between proteins and their ligands. Implicit solvent models offer some advantages for modeling these interactions, but they have not been parameterized on such complex problems, and therefore, it is not clear how reliable