Folding of Two Helical Peptide with Free Energy Methods and Molecular Dynamics

Studying the folding dynamics of a protein using Molecular Dynamics might require an extra criterium when selecting the studied protein. We present a study of the free energy landscape a two-helix protein using the free-energy protein forcefield PFF01.The free energy landscape of this protein is very simple, suggesting it as candidate for a ll-atom molecular dynamics simula- tions. In independent simulations we find the formation of th e correct secondary structure and several folding events into the tertiary structure.