A Molecular Dynamics Study of Ion Permeability Through Molecular Pores

1. Hille, B.: Ionic channels of excitable membranes. Sinaeur Associates Inc. (1984)

   Google Scholar 

2. Hille, B.: Ionic channels: molecular pores of excitable membranes. Harvey Lect. 82, 47–69 (1986)

   Google Scholar 

3. Eisenman, G., Horn, R.: Ionic selectivity revisited: the role of kinetic and equilibrium processes in ion permeation through channels. J. Membr. Biol. 76, 197–225 (1983)

   Article  Google Scholar 

4. Reuter, H., Stevens, C.: Ion conductance and ion selectivity of potassium channels in snail neurones. J. Membr. Biol. 57, 103–118 (1980)

   Article  Google Scholar 

5. Imoto, K., Busch, C., Sakmann, B., Mishina, M., Konno, T., Nakai, J., Bujo, H., Mori, Y., Fukuda, K., Numa, S.: Rings of negatively charged amino acids determine the acetylcholine receptor channel conductance. Nature 335, 645–648 (1988)

   Article  Google Scholar 

6. Heinemann, S., Terlau, H., Sthmer, W., Imoto, K., Numa, S.: Calcium channel characteristics conferred on the sodium channel by single mutations. Nature 356, 441–443 (1992)

   Article  Google Scholar 

7. Kim, M., Morii, T., Sun, L., Imoto, K., Mori, Y.: Structural determinants of ion selectivity in brain calcium channel. FEBS Lett. 318, 145–148 (1993)

   Article  Google Scholar 

8. Galzi, J., Devillers-Thiry, A., Hussy, N., Bertrand, S., Changeux, J., Bertrand, D.: Mutations in the channel domain of a neuronal nicotinic receptor convert ion selectivity from cationic to anionic. Nature 359, 500–505 (1992)

   Article  Google Scholar 

9. Dorman, V., Partenskii, M., Jordan, P.: A semi-microscopic Monte Carlo study of permeation energetics in a gramicidin-like channel: the origin of cation selectivity. Biophys. J. 70, 121–134 (1996)

   Article  Google Scholar 

10. Laio, A., Torre, V.: Physical origin of selectivity in ionic channels of biological membranes. Biophys. J. 76, 129–148 (1999)

    Article  Google Scholar 

11. Smith, W., Forester, T.: Dlpoly 2.0: a general-purpose parallel molecular dynamics simulation package. J. Mol. Graph. 14, 136–141 (1996)

    Article  Google Scholar 

12. Brooks, B.R., Bruccoleri, R.E., Olafson, B.D., States, D.J., Swaminathan, S., Karplus, M.: Charmm: A program for macromolecular energy, minimization, and dynamics calculations. J. Comp. Chem. 4, 187–217 (1983)

    Article  Google Scholar 

13. Kalra, A., Garde, S., Hummer, G.: Osmotic water transport through carbon nan-otube membranes. Proc. Natl. Acad. Sci. U.S.A. 100, 10175–10180 (2003)

    Google Scholar 

14. Berezhkovskii, A., Hummer, G.: Single-file transport of water molecules through a carbon nanotube. Phys. Rev. Lett. 89, 064503 (2002)

    Google Scholar 

15. Mann, D.J., Halls, M.D.: Water alignment and proton conduction inside carbon nanotubes. Phys. Rev. Lett.  90, 195503 (2003)

    Article  Google Scholar 

16. Zhu, F., Schulten, K.: Water and proton conduction through carbon nanotubes as models for biological channels. Biophys. J.  85, 236–244 (2003)

    Google Scholar 

17. York, D., Wlodawer, A., Pedersen, L., Darden, T.: Atomic-level accuracy in simulations of large protein crystals. Proc. Natl. Acad. Sci. U.S.A. 91, 8715–8718 (1994)

    Google Scholar 

Download references