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
Fluctuations in molecular dynamics simulations
β Scribed by J.J. Hoyt; Z.T. Trautt; M. Upmanyu
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 450 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0378-4754
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## Molecular Dynamics Simulations of Carrabiose ,ilcde(wlur mechanics calculatiotr.s have been per/iwmed,/i~r (he disaccharide carrabio.se, one o!' [he repeat t{nil.v{?/ 'fl-carrageenan, as a generai mode/,/i~r the ( 1-4)-linkage in the carragetJnany. .4n adiaha[ic coiltimna[ional energ~tnap ~iw t