2 papers
cond-mat.soft2004
Study of the Villin Headpiece folding dynamics by combining coarse-grained Monte Carlo evolution and all-atom Molecular Dynamics
Giacomo M. S. De Mori, Giorgio Colombo, Cristian Micheletti
The folding mechanism of the Villin headpiece (HP36) is studied by means of a novel approach which entails an initial coarse-grained Monte Carlo (MC) scheme followed by all-atom mo…
cond-mat.soft2003
Understanding the determinants of stability and folding of small globular proteins from their energetics
G. Tiana, F. Simona, G. M. S. De Mori +2
The results of minimal model calculations suggest that the stability and the kinetic accessibility of the native state of small globular proteins are controlled by few "hot" sites.…