Molecular dynamics was used to study the hydration of superoxide (0 2). The Helmholtz free energy of hydration of 0, was estimated by the thermodynamic integration method. The diffusion of 0, and the water structure around 0 2 were also studied. Two water models were used in the calculations and the
Acetylcholine receptor pore permeability studied by molecular dynamics simulation
β Scribed by Shaitan, K. V. ;Li, A. ;Tereshkina, K. B. ;Kirpichnikov, M. P.
- Book ID
- 110156888
- Publisher
- Biophysical Society of Japan
- Year
- 2007
- Tongue
- English
- Weight
- 414 KB
- Volume
- 52
- Category
- Article
- ISSN
- 1349-2942
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