The parameterization and validation of generalized born models using the pairwise descreening approximation
Generalized Born Surface Area (GBSA) models for water using the Pairwise Descreening Approximation (PDA) have been parameterized by two different methods. The first method, similar to that used in previously reported parameterizations, optimizes all parameters against the experimental free energies...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 25(2004), 14 vom: 15. Nov., Seite 1760-70 |
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| Format: | Aufsatz |
| Sprache: | English |
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2004
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article |