Generalized image charge solvation model for electrostatic interactions in molecular dynamics simulations of aqueous solutions
This paper extends the image charge solvation model (ICSM) [J. Chem. Phys. 131, 154103 (2009)], a hybrid explicit/implicit method to treat electrostatic interactions in computer simulations of biomolecules formulated for spherical cavities, to prolate spheroidal and triaxial ellipsoidal cavities, de...
| Veröffentlicht in: | Journal of computational physics. - 1998. - 245(2013) vom: 01. Juli, Seite 84-106 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , , |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2013
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| Zugriff auf das übergeordnete Werk: | Journal of computational physics |
| Schlagworte: | Journal Article Method of images electrostatic interaction hybrid explicit/implicit solvation model reaction field |