Angewandte Physikalische Chemie, Universität Heidelberg, Im Neuenheimer Feld 253, 69120 Heidelberg, Germany.
J Chem Phys. 2009 Dec 7;131(21):215102. doi: 10.1063/1.3270400.
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.
利用巨正则蒙特卡罗技术和全原子 CHARMM 力场，计算了凝胶相磷脂双层之间水介导力随双层分离的函数关系。尽管凝胶相与流体相在结构和比表面积密度上存在很大差异，但短程双层排斥的机制与先前计算的流体相双层相似。
