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Hydration-Dependent Protein Dynamics Revealed by Molecular Dynamics Simulation of Crystalline Staphylococcal Nuclease

โœ Scribed by Joti, Yasumasa; Nakagawa, Hiroshi; Kataoka, Mikio; Kitao, Akio

Book ID
126777500
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
300 KB
Volume
112
Category
Article
ISSN
0022-3654

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๐Ÿ“œ SIMILAR VOLUMES

Hydration of superoxide studied by molec
Hydration of superoxide studied by molecular dynamics simulation
โœ Jian Shen; Chung F. Wong; J. Andrew McCammon ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 498 KB

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