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
Cold-active enzymes studied by comparative molecular dynamics simulation
✍ Scribed by Vojtěch Spiwok; Petra Lipovová; Tereza Skálová; Jarmila Dušková; Jan Dohnálek; Jindřich Hašek; Nicholas J. Russell; Blanka Králová
- Book ID
- 106239759
- Publisher
- Springer-Verlag
- Year
- 2007
- Tongue
- English
- Weight
- 593 KB
- Volume
- 13
- Category
- Article
- ISSN
- 1610-2940
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