Simulation study of a gramicidin/lipid bilayer system in excess water and lipid. II. Rates and mechanisms of water transport

Biophysical Journal

Volumn 76, Issue 4, 1999, Pages 1939-1950

  Chiu, See Wing ^a,b   Subramaniam, Shankar ^a,b   Jakobsson, Eric ^a,b  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GRAMICIDIN; LIPID; WATER;

ARTICLE; CALCULATION; LIPID BILAYER; MATHEMATICAL MODEL; MEMBRANE CHANNEL; MEMBRANE PERMEABILITY; MOLECULAR DYNAMICS; PHOSPHOLIPID BILAYER; SIMULATION; WATER FLOW; WATER PERMEABILITY; WATER TRANSPORT;

EID: 0033037793     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(99)77353-4     Document Type: Article

References (31)

1. Berendsen, H. J. C., J. R. Grigera, and T. P. Straatsma. 1987. The missing term in effective pair potentials. J. Chem. Phys. 91:6289-6291.
2. Cheng, A., A. N. van Hoek, M. Yeager, A. S. Verkman, and A. K. Mitra. 1997. Three-dimensional organization of a human water channel. Nature. 387:627-630.
3. Chiu, S.-W., M. Clark, V. Balaji, S. Subramaniam, H. L. Scott, and E. Jakobsson. 1995. Incorporation of surface tension into molecular dynamics simulation of an interface: a fluid phase lipid bilayer membrane. Biophys. J. 69:1230-1245.
4. Chiu, S.-W., K. Gulukota, and E. Jakobsson. 1992. Computational approaches to understanding the ion channel-lipid system. In Membrane Proteins: Structures, Interactions, and Models. A. Pullman, B. Pullman, and J. Jortner, editors. Kluwer, The Netherlands.
5. Chiu, S.-W., E. Jakobsson, S. Subramaniam, and J. A. McCammon. 1991. Time-correlation analysis of simulated water motion in flexible and rigid gramicidin channels. Biophys. J. 60:273-285.
6. Chiu, S.-W., J. A. Novotny, and E. Jakobsson. 1993. The nature of ion and water barrier crossing in a simulated ion channel. Biophys. J. 64:98-108.
7. Chiu, S.-W., S. Subramaniam, and E. Jakobsson. 1996. Simulation of a fully hydrated DMPC bilayer using the NγT boundary conditions. Biophys. J. 70:94a. (Abstr.).
8. Chiu, S.-W., S. Subramaniam, and E. Jakobsson. 1999. Simulation study of a gramicidin/lipid bilayer system in excess water and lipid. I. Structure of the molecular complex. Biophys. J. 76:000-000.
9. Chiu, S.-W., S. Subramaniam, E. Jakobsson, and J. A. McCammon. 1989. Water and polypeptide conformations in gramicidin channels: a molecular dynamics study. Biophys. J. 56:253-261.
10. Dani, J. A., and D. G. Levitt. 1981. Water transport and ion-water interactions in the gramicidin channel. Biophys. J. 35:501-508.
11. Doyle, D. A., J. M. Cabral, R. A. Pfuetzner, A. Kuo, J. M. Gulbis, S. L. Cohen, B. T. Chait, and R. MacKinnon. 1998. The structure of the potassium channel: molecular basis of K+ conduction and selectivity. Science. 280:69-77.
12. Einstein, A. 1926. Investigations on the Theory of the Brownian Movement. Translation by A. D. Cowper of papers published 1905-1908. R. Furth, editor. Dover Publications, New York.
13. Finkelstein, A. 1987. Water Movement through Lipid Bilayers, Pores, and Plasma Membranes. Theory and Reality. Wiley-Interscience, New York.
14. Hille, B. 1992. Ionic Channels of Excitable Membranes. Sinauer, Sunderland, MA.
15. Hladky, S. B. 1987. Models for ion transport in gramicidin channels: how many sites? In Ion Transport Through Membranes. K. Yagi and B. Pullman, editors. Academic Press, Tokyo. 213-232.
16. Ketchem, R. R., W. Hu, and T. A. Cross. 1993. High-resolution conformation of gramicidin A in a lipid bilayer by solid-state NMR. Science. 261:1457-1460.
17. Ketchem, R. R., B. Roux, and T. A. Cross. 1997. High-resolution polypeptide structure in a lamellar phase lipid environment from solid state NMR derived orientational constraints. Structure. 5:1655-1669.
18. Koeppe, R. E. II, J. A. Killian, and D. V. Greathouse. 1994. Orientations of the tryptophan 9 and 11 side chains of the gramicidin channel based on deuterium nuclear magnetic resonance spectroscopy. Biophys. J. 66:14-24.
19. Lee, A. G. 1998. How lipids interact with an intrinsic membrane protein: the case of the calcium pump. In In Search of a new Biomembrane Model O. G. Mouritsen and O. S. Andersen, editors. Munksgaard, Copenhagen. 115-120.
20. Levitt, D. 1984. Kinetics of movement in narrow channels. Curr. Top. Membr. Transp. 21:181-198.
21. Li, H., S. Lee, and B. K. Jap. 1997. Molecular design of aquaporin-1 water channel as revealed by electron crystallography. Nat. Struct. Biol. 4:263-265.
22. MacDonald, R. C., and S. A. Simon. 1987. Lipid monolayer states and their relation to bilayers. Proc. Natl. Acad. Sci. USA. 84:4089-4093.
23. Marrink, S. J., and H. J. C. Berendsen. 1994. Simulation of water transport through a lipid membrane. J. Phys. Chem. 98:4155-4168.
24. Mills, R. 1973. Self-diffusion in normal and heavy water in the range 1-45 degrees. J. Phys. Chem. 77:685-688.
25. Park, J. H., and M. H. Saier, Jr. 1996. Phylogenetic characterization of the MIP family of transmembrane channel proteins. J. Membr. Biol. 153:171-180.
26. Rosenberg, P. A., and A. Finkelstein. 1978a. Interactions of ions and water in gramicidin A channels. Streaming potentials across lipid bilayer membranes. J. Gen. Physiol. 72:327-340.
27. Rosenberg, P. A., and A. Finkelstein. 1978b. Water permeability of gramidicin A-treated lipid bilayer membranes. J. Gen. Physiol. 72:341-350.
28. Roux, B., and M. Karplus. 1991. Ion transport in a gramicidin-like channel: dynamics and mobility. Biophys. J. 95:4856-4868.
29. + channel. Biophys. J. 63:1032-1044.
30. Singh, C., S. Sankararamakrishnan, S. Subramaniam, and E. Jakobsson. 1996. Solvation, water permeation, and ionic selectivity of a putative model for the pore region of the voltage-gated sodium channel. Biophys. J. 71:2276-2288.
31. Warren, G. B., M. D. Houslay, J. C. Metcalfe, and N. J. M. Birdsall. 1975. Cholesterol is excluded from the phospholipid annulus surrounding an active calcium transport protein. Nature. 255:684-687.