The role of sidechain packing and native contact interactions in folding: Discontinuous molecular dynamics folding simulations of an all-atom Gō model of fragment B of Staphylococcal protein A

Influence of temperature, friction, and

Influence of temperature, friction, and random forces on folding of the B-domain of staphylococcal protein A: All-atom molecular dynamics in implicit solvent

✍ Anna Jagielska; Harold A. Scheraga 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 472 KB 👁 1 views

## Abstract The influences of temperature, friction, and random forces on the folding of protein A have been analyzed. A series of all‐atom molecular dynamics folding simulations with the Amber ff99 potential and Generalized Born solvation, starting from the fully extended chain, were carried out f