A Computational - Experimental Study of Small Globular Proteins

Abstract

The folding of small globular proteins is studied using a combination of experimental and computational techniques. The use of several experimental probes to study the formation of secondary and tertiary structure of proteins is stressed to obtain a description of their folding. Molecular dynamics simulations are carried out under non-physiological conditions to overcome experimental obstacles. Under physiological conditions, the combination of molecular dynamics and experiments resolves the folding of small proteins in great detail.