Molecular Dynamics Simulations of Nucleic Acids with a Generalized Born Solvation Model
β Scribed by Tsui, Vickie; Case, David A.
- Book ID
- 120332390
- Publisher
- American Chemical Society
- Year
- 2000
- Tongue
- English
- Weight
- 412 KB
- Volume
- 122
- Category
- Article
- ISSN
- 0002-7863
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Detailed solvation properties of an ammonium ion in polarizable water as a function of the number of water molecules are studied. Extensive molecular dynamics simulations are carried out to compute successive binding enthalpies of the ionic clusters, solvation enthalpies, and structural properties o