Ollila O H Samuli, Risselada H Jelger, Louhivuori Martti, Lindahl Erik, Vattulainen Ilpo, Marrink Siewert J
Department of Physics, Tampere University of Technology, P.O. Box 692, FI-33101 Tampere, Finland.
Phys Rev Lett. 2009 Feb 20;102(7):078101. doi: 10.1103/PhysRevLett.102.078101. Epub 2009 Feb 19.
We calculate full 3D pressure fields for inhomogeneous nanoscale systems using molecular dynamics simulation data. The fields represent systems with increasing level of complexity, ranging from semivesicles and vesicles to membranes characterized by coexistence of two phases, including also a protein-membrane complex. We show that the 3D pressure field is distinctly different for curved and planar bilayers, the pressure field depends strongly on the phase of the membrane, and that an integral protein modulates the tension and elastic properties of the membrane.
我们利用分子动力学模拟数据计算非均匀纳米尺度系统的完整三维压力场。这些系统代表了复杂性不断增加的体系，范围从半囊泡和囊泡到具有两相共存特征的膜，其中还包括蛋白质 - 膜复合物。我们表明，弯曲双层膜和平面双层膜的三维压力场明显不同，压力场强烈依赖于膜的相态，并且整合蛋白会调节膜的张力和弹性特性。
