Free folding of a peptide

Post date: Sep 9, 2011 1:43:59 PM

Successful folding of a 15-AA peptide in explicit solvent by brute force, 6 trajs of 2.5 us each, gromacs, 6000 atoms.

Structured Pathway across the Transition State for Peptide Folding Revealed by Molecular Dynamics Simulations