Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy
The generalized Born/surface area (GB/SA) continuum model for solvation free energy is a fast and accurate alternative to using discrete water molecules in molecular simulations of solvated systems. However, computational studies of large solvated molecular systems such as enzyme-ligand complexes ca...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 23(2002), 2 vom: 30. Jan., Seite 214-21 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , , |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2002
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Macromolecular Substances Proteins Water 059QF0KO0R |