Subdiffusion in peptides originates from the fractal-like structure of configuration space.
Molecular dynamics simulation of oligopeptide chains reveals configurational subdiffusion at equilibrium extending from 10(-12) to 10(-8) s. Trap models, involving a random walk with a distribution of waiting times, cannot account for the subdiffusion, which is found rather to arise from the fractal-like structure of the accessible configuration space.
Computational Molecular Biophysics, Interdisziplinäres Zentrum für wissenschaftliches Rechnen (IWR), Universität Heidelberg, Im Neuenheimer Feld 368, D-69120 Heidelberg, Germany. thomas.neusius@iwr.uni-heidelberg.de
Thomas
T
Neusius
Isabella
I
Daidone
Igor M
IM
Sokolov
Jeremy C
JC
Smith
D003198:Computer Simulation; D004058:Diffusion; D017709:Fractals; D008956:Models, Chemical; D009842:Oligopeptides / Q000737:chemistry*; D011487:Protein Conformation; D013816:Thermodynamics
D009842:Oligopeptides