Brownian Dynamics Simulations of SingleFile Motion Through Nanochannels.pdfVIP

6 0 0 2 r a M 8 BROWNIAN DYNAMICS SIMULATIONS OF 2 SINGLE-FILE MOTION THROUGH NANOCHANNELS ] ´ ´ h I. D. Kosinska and A. Fulinski p - p M. Smoluchowski Institute of Physics, Jagiellonian University, Reymonta 4, m PL-30-059 Krak´ow, Poland o c . s c Algorithm is constructed which models single-file motion of particles i s interacting with each other and with the surroundings. As an example, y we present the results of Brownian Dynamics simulations of the motion of h p cations moving through a short very narrow channel containing a device [ called “gate”, which may open and close the channel. 1 v 1. Introduction 8 3 Nanochannel transport and physical mechanisms of its regulation are 2 among leading open problems in nanoscience. Its importance results from 3 the fact that controlled and selective flow of matter through proteins in the 0 6 cell membrane – achieved by active and passive channels [1] – is one of most 0 important biophysical processes in living cells. On the other hand, similar / s functions may be performed by synthetic nanopores which also can rectify c the ionic currents [2, 3, 4] and pump the ions against their concentration i s gradients [5] and therefore may be used as simple models of biological (pro- y tein) channels, and, on the other hand, may serve as device