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Stabilization of α-helical secondary structure during high-temperature molecular-dynamics simulations of α-lactalbumin

✍ Scribed by Pei Fan; Dorothea Kominos; Douglas B. Kitchen; Ronald M. Levy; Jean Baum


Book ID
107942641
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
648 KB
Volume
158
Category
Article
ISSN
0301-0104

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✍ Lorna J. Smith; Christopher M. Dobson; Wilfred F. van Gunsteren 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 187 KB 👁 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