title: Langevin dynamics simulation on the translocation of polymer through α-hemolysin pore.
abstract: The forced translocation of a polymer through an α-hemolysin pore under an electrical field is studied using a Langevin dynamics simulation. The α-hemolysin pore is modelled as a connection of a spherical vestibule and a cylindrical β-barrel and polymer-pore attraction is taken into account. The results show that polymer-pore attraction can help the polymer enter the vestibule and the β-barrel as well; however, a strong attraction will slow down the translocation of the polymer through the β-barrel. The mean translocation time for the polymer to thread through the β-barrel increases linearly with the polymer length. By comparing our results with that of a simple pore without a vestibule, we find that the vestibule helps the polymer enter and thread through the β-barrel. Moreover, we find that it is easier for the polymer to thread through the β-barrel if the polymer is located closer to the surface of the vestibule. Some simulation results are explained qualitatively by theoretically analyzing the free-energy landscape of polymer translocation.
authors.affiliation: Department of Physics, Zhejiang University, Hangzhou 310027, People's Republic of China. Department of Applied Physics, Zhejiang University of Technology, Hangzhou 310023, People's Republic of China.
authors.forename: Li-Zhen
authors.initials: LZ
authors.lastname: Sun
authors.forename: Meng-Bo
authors.initials: MB
authors.lastname: Luo
mesh_terms: D006460:Hemolysin Proteins / Q000737:chemistry*; D008962:Models, Theoretical; D056004:Molecular Dynamics Simulation; D011108:Polymers / Q000737:chemistry*; D016062:Porosity
chemical_list: D006460:Hemolysin Proteins; D011108:Polymers