Monte Carlo simulations of the HP model (the "Ising model" of protein folding)

Using Wang-Landau sampling with suitable Monte Carlo trial moves (pull moves and bond-rebridging moves combined) we have determined the density of states and thermodynamic properties for a short sequence of the HP protein model. For free chains these proteins are known to first undergo a collapse "transition" to a globule state followed by a second "transition" into a native state. When placed in the proximity of an attractive surface, there is a competition between surface adsorption and folding that leads to an intriguing sequence of "transitions". These transitions depend upon the relative interaction strengths and are largely inaccessible to "standard" Monte Carlo methods.Comment: 6 pages, 6 figures. Article in press. To be published in Computer Physics Communications (2011

Nuclear vorticity and the low-energy nuclear response - Towards the neutron drip line

The transition density and current provide valuable insight into the nature of nuclear vibrations. Nuclear vorticity is a quantity related to the transverse transition current. In this work, we study the evolution of the strength distribution, related to density fluctuations, and the vorticity strength distribution, as the neutron drip line is approached. Our results on the isoscalar, natural-parity multipole response of Ni isotopes, obtained by using a self-consistent Skyrme-Hartree-Fock + Continuum RPA model, indicate that, close to the drip line, the low-energy response is dominated by L>1 vortical transitions.Comment: 8 pages, incl. 4 figures; to appear in Phys.Lett.