Molecular dynamics simulations of a phospholipid-detergent mixture

Journal of Physical Chemistry B

Volumn 105, Issue 7, 2001, Pages 1331-1337

  Schneider, Michael J ^a   Feller, Scott E ^a  

^a WABASH COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; DETERGENTS; MOLECULAR DYNAMICS; PHOSPHOLIPIDS;

MEMBRANE-POLYMER INTERACTIONS;

SOLUTIONS;

EID: 0035250628     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003299g     Document Type: Article

References (40)

1. Pastor, R. W. Citrr. Op'm. Struct. Biol. 1994, 4, 486-492.
2. Tobias, D. J.; Tu, K.; Klein, M. L. Girr. Opin. Colloid Interface Sci. 1997, 2, 15-26.
3. Jakobsson, E. Trends Biol. Sci. 1997, 22, 339-344.
4. Berendsen, H. J. C.; Tieleman, D. P. Molecular dynamics: studies of lipid bilayers. In Encylopedia of Computational Chemistry; Wiley: New York, 1998; pp 1639-1650.
5. Nagle J. F.; Tristram-Nagle, S. Curr. Opin. Struct. Biol., in press.
6. van der Ploeg, P.; Berendsen. H. J. C. J. Chem. Phys. 1982, 76, 3271-3276.
7. Venable, R. M.; Zhang, Y.; Hardy, B. J.; Pastor, R. W. Science 1993, 262, 223-226.
8. Stouch, T. R.; D. Bassolino. Movement of small molecules in lipid bilayer: Molcular dynamics simulation studies. In Biological Membranes: A Molecular Perspective from Computation and Experiment; Merz, K., Roux, B., Eds.; Birkhauser: Boston, 1996; pp 255-280.
9. Tu, K.; Klein, M. L.; Tobias, D. J. Biophys. J. 1998, 75, 21472156.
10. Woolf, T. B. Biophys. J. 1997, 73, 2376-2392.
11. Bemeche, S.; Roux, B. Biophys. J. 2000, 78, 2900-2917.
12. Forrest, L. R.; Tieleman, D. P.; Sansom, M. S. P. Biophys. J. 1999, 76, 1886-1896.
13. Schlenkrich, M.; Brickmann, J.; MacKerell, A. D., Jr.; Karplus, M. Empirical Potential Energy Function for Phospholipids: Criteria for Parameter Optimization and Applications. In Biological Membranes: A Molecular Perspective from Computation and Experiment; Merz, K. M., Roux, B., Eds.; Birkhauser: Boston, 1996; pp 31-81.
14. Feller, S. E.; Pastor, R. W.; Rojuckarin, A.; Bogusz, S.; Brooks, B. R. J. Phys. Chem. 1996, 42, 17011-17020.
15. Zhang, Y.; Feller, S. E.; Brooks, B. R.; Pastor, R. W. J. Citem. Phys. 1995, 103, 10252-10266.
16. Feller, S. E.; Pastor, R. W. Biophys. J. 1996, 71, 1350-1355.
17. Pastor, R. W.; Feller, S. E. Time scales of lipid dynamics and molecular dynamics. In Biological Membranes: A Molecular Perspective from Computation and Experiment; Merz, K. M., Roux, B., Eds.; Birkhaiiser: Boston, 1996; pp 31-81.29.
18. Volke, F.; Pampel, A. Biophys. J. 1995, 68, 1-6.
19. Lantzsch, G.; Binder, H.; Heerklotz, H.; Wendung, M.; Klose, G. Biophys. Cliem. 1996, 58, 289-302.
20. Klose, G.; Islamov, A.; Konig, B.; Cherezov, V. Langmuir 1996, 12, 409-415.
21. Klose, G.; Eisenblatter, S.; Konig, B. J. Coll. Int. Sci. 1995, 772, 438-446.
22. König, B.; Dietrich, U.; Klose, G. Langmuir 1997, 13, 525-532.
23. Banerjee, P.; Joo, J. B.; Buse, J. T.; Dawson, G. Chem. Phys. Lipids 1995, 77, 65-78.
24. Heerklotz, H.; Seelig, J. Biophys. J. 2000, 78, 2435-2440.
25. Heerklotz, H.; Binder, H.; Lantzsch, G.; Klose, G.; Blume, A. J. Phys. Chem. B 1997, 101, 639-645.
26. Heerklotz, H.; Binder, H.; Schmiedel, H. J. Phys. Chem. B 1998, 702, 5363-5368.
27. Eisenblatter, S.; Galle, J.; Volke, F. Chem. Phys. Lett. 1994, 228, 89-93.
28. Klose, G.; Mädler, B.; Schäfer, H.; Schneider, K. P. J. Phys. Chem. B 1999, 103, 3022-3029.
29. Klose, G.; Levine, Y. K. Langmuir 2000, 16, 671-676.
30. Nagle, J. F. Biophys. J. 1993, 64, 1476-1481.
31. Armen, R. S.; Uitto, O. D.; Feller, S. E. Biophys. J. 1998, 75, 734744.
32. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Compta. Chem. 1983, 4, 187-217.
33. Feller, S. E.; Yin, D.; Pastor, R. W.; MacKerell, A. D. Biophy. J. 1997, 73, 2269-2279.
34. Essman, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. J. Chem. Phys. 1995, 103, 8577-8593.
35. Ryckaert, J. P.; Ciccotti, G.; Berendsen, H. J. C. J. Compta. Phys. 1977, 23, 327-341.
36. Feller, S. E.; Zhang, Y.; Pastor, R. W.; Brooks, R. W. J. Chem. Phys. 1995, 705,4613-4621.
37. Hoover, W. G. Phys. Rev. A 31, 1985, 1695-1697.
38. Feller, S. E.; Venable, R. M.; Pastor, R. W. Langmuir 1997, 13, 6555-6561.
39. Feller, S. E.; Huster, D.; Gawrisch, K. J. Am. Chem. Soc. 1999, 727, 8963.
40. Forrest L. R.; Kukol, A.; Arkin, I. T.; Tieleman, D. P.; Sansom, M..S. P. Biophys. J. 2000, 78, 55-69.