Akademik Veri Yönetim Sistemi
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, cilt.83, sa.3, 2011 (SCI-Expanded)
Biological macromolecules expand with increasing temperature and this dynamic expansion is associated with the onset of function. The expansion is typically characterized by the mean square vibrational displacement (MSD), u2, of specific constituents such as hydrogen within the macromolecules. The u2 increases with increasing temperature and the slope of u2 versus temperature can increase significantly at a temperature TD identified as a dynamical transition. We illustrate that the observed expansion and change in slope of u2 with temperature at TD can be reproduced within a simple model of the vibration, an atom in an anharmonic potential, V(u). Given V(u), only the temperature is varied in the model. A simple Gaussian potential or a potential containing a hard wall is particularly effective is reproducing the observed change in the slope of u2 with temperature around TD. © 2011 American Physical Society.