Computer simulation of water-mediated forces between gel-phase phospholipid bilayers.
Water-mediated forces between gel-phase phospholipid bilayers were calculated as a function of interbilayer separation using the grand canonical Monte Carlo technique and all-atom CHARMM force field. The mechanism of the short-range interbilayer repulsion proved to be similar to that calculated previously for the fluid-phase bilayers despite substantial differences in structure and areal density between the gel and fluid phases.
Pertsin
Alexander
A
Angewandte Physikalische Chemie, Universität Heidelberg, Im Neuenheimer Feld 253, 69120 Heidelberg, Germany. ig3@ix.urz.uni-heidelberg.de
Fedyanin
Ivan
I
Grunze
Michael
M
D003198:Computer Simulation; D008051:Lipid Bilayers / Q000737:chemistry*; D008956:Models, Chemical; D009010:Monte Carlo Method; D044367:Phase Transition; D010743:Phospholipids / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
D008051:Lipid Bilayers; D010743:Phospholipids; D014867:Water