A Consistent Model for Thermal Fluctuations and Protein-Induced Deformations in Lipid Bilayers

• Published in: Biophysical journal 2006-03, Vol.90 (5), p.1501-1520
• Main Authors: Brannigan, Grace, Brown, Frank L.H.
• Format: Article
• Language: English
• Subjects: Biophysical Theory and Modeling; Biophysics; Computer Simulation; Lipid Bilayers - chemistry; Lipids; Membrane Fluidity; Membrane Proteins - chemistry; Membranes; Models, Chemical; Models, Molecular; Molecular Conformation; Phase Transition; Proteins; Temperature
• ISSN: 0006-3495; 1542-0086
• DOI: 10.1529/biophysj.105.075838

We present an elastic Hamiltonian for membrane energetics that captures bilayer undulation and peristaltic deformations over all wavelengths, including the short wavelength protrusion regime. The model implies continuous functional forms for thermal undulation and peristaltic amplitudes as a function of wavelength and predicts previously overlooked relationships between these curves. Undulation and peristaltic spectra display excellent agreement with data from both atomistic and coarse-grained models over all simulated length scales. Additionally, the model accurately predicts the bilayer’s response to a cylindrical protein inclusion as observed in coarse-grained simulation. This elastic response provides an explanation for gramicidin ion channel lifetime versus membrane thickness data that requires no fit constants. The physical parameters inherent to this picture may be expressed in terms of familiar material properties associated with lipid monolayers. Inclusion of a finite monolayer spontaneous curvature is essential to obtain fully consistent agreement between theory and the full range of available simulation/experimental data.