Reorientational relaxation of aromatic molecules in the molecular cavity of crystalline syndiotactic polystyrene studied by molecular dynamics simulation
β Scribed by Yoshinori Tamai; Yoshiharu Tsujita; Mitsuhiro Fukuda
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 467 KB
- Volume
- 739
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract Molecular dynamics (MD) simulations of several nanoseconds each were used to monitor the dynamic behavior of the five crystal water molecules buried in the interior of the Nβterminal domain of apolipoprotein E. These crystal water molecules are fairly well conserved in several apolipopr
The molecular dynamics (MD) simulation of superoxide dismutase (SOD) in water is carried out for a total of 23 ps. The simulation system is a 26 A sphere centered at the active site of SOD, including 1602 atoms from SOD and 1761 water molecules. There is no gross deviation from the x-ray structure f