Dynamical properties of Coulombic systems at low densities: computer simulation results

Molecular dynamics simulations of human

Molecular dynamics simulations of human α-lactalbumin: Changes to the structural and dynamical properties of the protein at low pH

✍ 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