Subdiffusion in Peptides Originates from the Fractal-Like Structure of Configuration Space

Journal Article · Thu May 01 04:00:00 EDT 2008 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.100.188103· OSTI ID:950815

Neusius, Thomas ^[1]; Daidone, Isabella ^[1]; Sokolov, Igor ^[2]; Smith, Jeremy C ^[3]

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1. University of Heidelberg
2. University of Berlin, Berlin, Germany
3. ORNL

Molecular dynamics simulation of oligopeptide chains reveals configurational subdiffusion at equilibrium extending from 10{sup -12} to 10{sup -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.

• Research Organization: Oak Ridge National Laboratory (ORNL)
• Sponsoring Organization: ORNL LDRD Director's R&D
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 950815
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 18 Vol. 100; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

59 BASIC BIOLOGICAL SCIENCES
CONFIGURATION
DIFFUSION
DISTRIBUTION
MOLECULAR DYNAMICS METHOD
PEPTIDES
SIMULATION