Modeling Membranes under a Transmembrane Potential

@article{citeulike:2709879, abstract = {Abstract: Accurate modeling of ion transport through synthetic and biological transmembrane channels has been so far a challenging problem. We introduce here a new method that allows one to study such transport under realistic biological conditions. We present results from molecular dynamics simulations of an ion channel formed by a peptide nanotube, embedded in a lipid bilayer, and subject to transmembrane potentials generated by asymmetric distributions of ions on both sides of the membrane. We show that the method is efficient for generating ionic currents and allows us to estimate the intrinsic conductance of the channel.}, address = {UMR Structure et R\'{e}activit\'{e} des Syst\`{e}mes Mol\'{e}culaires Complexes, Nancy Universit\'{e}, CNRS, Vandoeuvre-les-Nancy, France}, author = {Delemotte, L. and Dehez, F. and Treptow, W. and Tarek, M. }, citeulike-article-id = {2709879}, doi = {http://dx.doi.org/10.1021/jp710846y}, journal = {J. Phys. Chem. B}, keywords = {biomembranes, electrostatics, ion\_channels, molecular\_simulation, nanotech, solvation}, month = {April}, posted-at = {2008-04-23 20:42:06}, priority = {0}, title = {Modeling Membranes under a Transmembrane Potential}, url = {http://dx.doi.org/10.1021/jp710846y}, year = {2008} }

TY - JOUR ID - citeulike:2709879 L3 - citeulike-article-id:2709879 TI - Modeling Membranes under a Transmembrane Potential JF - J. Phys. Chem. B AD - UMR Structure et Réactivité des Systèmes Moléculaires Complexes, Nancy Université, CNRS, Vandoeuvre-les-Nancy, France N2 - Abstract: Accurate modeling of ion transport through synthetic and biological transmembrane channels has been so far a challenging problem. We introduce here a new method that allows one to study such transport under realistic biological conditions. We present results from molecular dynamics simulations of an ion channel formed by a peptide nanotube, embedded in a lipid bilayer, and subject to transmembrane potentials generated by asymmetric distributions of ions on both sides of the membrane. We show that the method is efficient for generating ionic currents and allows us to estimate the intrinsic conductance of the channel. KW - biomembranes KW - electrostatics KW - ion_channels KW - molecular_simulation KW - nanotech KW - solvation AU - Delemotte, L AU - Dehez, F AU - Treptow, W AU - Tarek, M PY - 2008/04/16/ UR - http://dx.doi.org/10.1021/jp710846y ER -