dc.contributor.author | Im, Wonpil | |
dc.contributor.author | Seefeld, Stefan | |
dc.contributor.author | Roux, Benoît | |
dc.date.accessioned | 2015-04-17T19:52:33Z | |
dc.date.available | 2015-04-17T19:52:33Z | |
dc.date.issued | 2000-08 | |
dc.identifier.citation | Im, Wonpil, Stefan Seefeld, and Benoît Roux. "A Grand Canonical Monte Carlo–Brownian Dynamics Algorithm for Simulating Ion Channels." Biophysical Journal 79.2 (2000): 788-801. http://dx.doi.org/10.1016/S0006-3495(00)76336-3. | en_US |
dc.identifier.uri | http://hdl.handle.net/1808/17439 | |
dc.description | This is the published version. Copyright 2000 by Elsevier B. V. | en_US |
dc.description.abstract | A computational algorithm based on Grand Canonical Monte Carlo (GCMC) and Brownian Dynamics (BD) is described to simulate the movement of ions in membrane channels. The proposed algorithm, GCMC/BD, allows the simulation of ion channels with a realistic implementation of boundary conditions of concentration and transmembrane potential. The method is consistent with a statistical mechanical formulation of the equilibrium properties of ion channels (Roux, B. 1999; Biophys. J. 77:139–153). The GCMC/BD algorithm is illustrated with simulations of simple test systems and of the OmpF porin of Escherichia coli. The approach provides a framework for simulating ion permeation in the context of detailed microscopic models. | en_US |
dc.publisher | Elsevier B. V. | en_US |
dc.title | A Grand Canonical Monte Carlo–Brownian Dynamics Algorithm for Simulating Ion Channels | en_US |
dc.type | Article | |
kusw.kuauthor | Im, Wonpil | |
kusw.kudepartment | Molecular Biosciences | en_US |
dc.identifier.doi | 10.1016/S000+B2:B1416-3495(00)76336-3 | |
kusw.oaversion | Scholarly/refereed, publisher version | |
kusw.oapolicy | This item does not meet KU Open Access policy criteria. | |
dc.rights.accessrights | openAccess | |