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DFT Study of the Transport Properties of Molecular Wire at Low Bias

✍ Scribed by Yuan-Hua Qi; Da-Ren Guan; Cheng-Bu Liu

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
135 KB
Volume
24
Category
Article
ISSN
0256-7660

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Molecular dynamics simulations of human
Molecular dynamics simulations of human Ξ±-lactalbumin: Changes to the structural and dynamical properties of the protein at low pH
✍ Lorna J. Smith; Christopher M. Dobson; Wilfred F. van Gunsteren πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 187 KB πŸ‘ 1 views

Two 700-ps molecular dynamics simulations of human ␣-lactalbumin have been compared. Both were initiated from an X-ray structure determined at pH 6.5. One simulation was designed to represent native conditions and the other the protein in solution at pH 2.0 without a bound calcium ion. The low pH co