Paper Citing NAMD - Abstract
Nibali, Valeria Conti; D'Angelo, Giovanna; Tarek, Mounir
Molecular dynamics simulation of short-wavelength collective dynamics of phospholipid membranes
PHYSICAL REVIEW E, 89 Art. No. 050301, MAY 12 2014
We investigated the short-wavelength longitudinal and transverse collective dynamics of the fluid and gel phases of phospholipid bilayers by means of molecular dynamics simulation. Similarly to a crystal, the spectrum of collective excitations in a bilayer consists of longitudinal and transverse acoustic modes, though modified by disorder. Beside acoustic modes, a series of broad dispersionless excitations are revealed. The dispersion curves of the observed excitations may be represented in a pseudo- Brillouin zone scheme centered around the spatial correlation peak of the acyl chains. The study provides evidence for a resonant interaction between the lowest frequency optical phonon and the longitudinal acoustic mode.
