Lipid bilayers, NMR relaxation, and computer simulations

Acc Chem Res. 2002 Jun;35(6):438-46. doi: 10.1021/ar0100529.

Abstract

Brownian and molecular dynamics simulations of a lipid bilayer are described, and the calculated frequency-dependent (13)C NMR T(1) relaxation times are compared with experiment. A consistent model emerges. Through fast internal motions, individual lipids average themselves into relatively cylindrical shapes on the 100 ps time scale and "wobble" in a cone-like potential on the nanosecond time scale. These motions take place in a highly fluid environment, much like a liquid alkane. Lateral diffusion of the lipids is on a significantly longer time scale because of restrictions at the bilayer/water interface, not because the interior of the bilayer is highly viscous.

Publication types

  • Review

MeSH terms

  • Computer Simulation*
  • Diffusion
  • Kinetics
  • Lipid Bilayers / chemistry*
  • Lipid Bilayers / metabolism
  • Nuclear Magnetic Resonance, Biomolecular / methods*
  • Water / metabolism

Substances

  • Lipid Bilayers
  • Water