SEMINAIRE MERCREDI 19 SEPTEMBRE 2007
14 heures
Salle Séminaire 5
Centre de Physique Théorique
Marseille-Luminy

Alessandro Torcini
Istituto dei Sistemi Complessi - CNR
Firenze (Italie)

Title: Reconstructing the free energy landscape of a mechanically
unfolded model protein

Abstract: The equilibrium free energy landscape of an off-lattice model protein
as a function of an internal (reaction) coordinate is reconstructed
from out-of-equilibrium mechanical unfolding manipulations. This task
is accomplished via two independent methods: by employing an extended
version of the Jarzynski equality (EJE) and the protein inherent
structures (ISs). In a range of temperatures around the ``folding
transition'' we find a good quantitative agreement between the free
energies obtained via EJE and IS approaches. This indicates that the
two methodologies are consistent and able to reproduce equilibrium
properties of the examined system.