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Molecular dynamics simulation of superoxide interacting with superoxide dismutase

โœ Scribed by Jian Shen; J.Andrew McCammon

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
697 KB
Volume
158
Category
Article
ISSN
0301-0104

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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