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The Anorthite–Diopside System: Structural and Devitrification Study. Part I: Structural Characterization by Molecular Dynamic Simulations

✍ Scribed by Anna Bonamartini Corradi; Federica Bondioli; Valeria Cannillo; Anna Maria Ferrari; Isabella Lancellotti; Monia Montorsi


Book ID
109256093
Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
155 KB
Volume
88
Category
Article
ISSN
0002-7820

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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