## Abstract We present a new hybrid explicit/implicit solvent method for dynamics simulations of macromolecular systems. The method models explicitly the hydration of the solute by either a layer or sphere of water molecules, and the generalized Born (GB) theory is used to treat the bulk continuum
✦ LIBER ✦
Combined implicit or explicit integration steps for hybrid simulation
✍ Scribed by G. Mosqueda; M. Ahmadizadeh
- Publisher
- John Wiley and Sons
- Year
- 2007
- Tongue
- English
- Weight
- 470 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0098-8847
- DOI
- 10.1002/eqe.731
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