A Simple Model of Water and the Hydrophobic Effect
β Scribed by Silverstein, Kevin A. T.; Haymet, A. D. J.; Dill, Ken A.
- Book ID
- 118057253
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 274 KB
- Volume
- 120
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
In the process of studying the solvation of simple hydrocarbons, we found that the nonbond van der Waals (vdw) parameters for the TIP3P water model could be adjusted without significantly changing its liquid water properties. By increasing the van der Waals well depth E from 0.152 kcal/mol for the T
The recent development of approximate analytical formulations of continuum electrostatics opens the possibility of efficient and accurate implicit Ε½ solvent models for biomolecular simulations. One such formulation ACE, .