Figure 1From: Langevin dynamics simulations of charged model phosphatidylinositol lipids in the presence of diffusion barriers: toward an atomic level understanding of corralling of PIP2 by protein fences in biological membranesSchematic representation of the Langevin dynamics system. (a) Schematic representation of the simulation systems. Each system is a rectangular box with hard-wall boundaries and a fence along the Y-axis centered at X = 0. PIP2 molecules are modeled as charged spheres and initially placed inside the pool (X < 0) at a concentration of 6%; the 329 PIP2 from one of the septin simulations are shown explicitly (see Figure S3 for snapshots at later times). (B-C) Schematic representations of two types of rod-like fences, with PIP2 and fence particles enlarged for clarity (b) A porous fence is generated from uncharged blocking atoms on the diffusion plane with a variation in the fence opening length (L open). (c) An electrostatic fence is generated from the single-lined charged atoms placed above the diffusion plane with a variation in the height (h) from the diffusion plane and charge per atom (q).Back to article page