Molecular dynamics simulations of neat alkanes: The viscosity dependence of rotational relaxation

Journal of Physical Chemistry

Volumn 100, Issue 7, 1996, Pages 2652-2660

  Zhang, Yuhong ^a   Venable, Richard M ^a   Pastor, Richard W ^a  

^a CENTER FOR BIOLOGICS EVALUATION AND RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000376273     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp952745a     Document Type: Article

References (49)

1. Bauer, D. R.; Brauman, J. I.; Pecora, R. J. Am. Chem. Soc. 1974, 96, 6840.
2. Berne, B. J.; Pecora, R. Dynamic Light Scattering; Wiley-Interscience: New York, 1976.
3. Hu, C.; Zwanzig, R. J. Chem. Phys. 1974, 60, 4354.
4. Velsko, S. P.; Fleming, G. R. Chem. Phys. 1982, 65, 79.
5. Pollack, G. L.; Kennan, R. P.; Himm, J. F.; Stump, D. R. J. Chem. Phys. 1990, 92, 625.
6. Yamakawa, H. Modern Theory of Polymer Solutions; Harper and Row: New York, 1971.
7. Levine, Y. K.; Birdsall, N. J. M.; Lee, A. G.; Partington, P.; Roberts, G. K. C. J. Chem. Phys. 1974, 60, 2890.
8. Lyerla, J. R., Jr.; McIntyre, H. M.; Torchia, D. A. Macromolecules 1974, 7, 11.
9. Lyerla, J. R., Jr.; Horikawa, T. T. J. Phys. Chem. 1976, 80, 1106.
10. Wittebort, R. J.; Szabo, A. J. Chem. Phys. 1978, 69, 1722, 11.
11. London, R. E.; Avitable, J. J. Am. Chem. Soc. 1978, 100, 7159.
12. Levy, R. M.; Karplus, M.; Wolynes, P. G. J. Am. Chem. Soc. 1981, 103, 6840.
13. Gennis, R. B. Biomembranes: Molecular Structure and Function; Springer-Verlag: New York, 1989.
14. Overton E. Vierteljahresschr Naturforsch. Ges. Zurich 1895, 40, 159.
15. Finkelstein, A. Water Movement Through Lipid Bilayers, Pores, and Plasma Membranes: Theory and Reality; Wiley-Interscience: New York, 1987.
16. Bassolino-Klimas, D.; Alper, H. E.; Slouch, T. R. Biochemistry 1993, 32, 12624.
17. Marrink, S.-J.; Berendsen, H. J. C. J. Phys. Chem. 1993, 95, 4155.
18. Venable, R. M.; Zhang, Y.; Hardy B. J.; Pastor, R. W. Science 1993, 262, 223.
19. Levy, R. M.; Karplus, M.; McCammon, J. A. Chem. Phys. Lett. 1979, 65, 4.
20. van Gunsteren, W. F.; Berendsen, H. J. C.; Rullmann, J. A. C. Mol. Phys. 1981, 44, 69.
21. Pastor, R. W. In The Molecular Dynamics of Liquid Crystals; Luckhurst, G.R., Veracini, C. A., Eds.; Kluwer Academic Publishers: The Netherlands, 1994.
22. Montgomery, J. A.; Holmgren, S. L.; Chandler, D. J. Chem. Phys. 1980, 73, 3688.
23. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187.
24. CHARMM release date May, 1993; Schlenkrick, M.; Brickmann, J.; MacKerell, A., Jr.; Karplus, M. In Membrane Structure and Dynamics; Merz, K. M., Roux, B., Eds.; Birkhauser: Boston, in press.
25. Small, D. M. The Physical Chemistry of Lipids; Plenum: New York, 1986.
26. Loncharich, R. J.; Brooks, B. R.; Pastor, R. W Biopolymers 1992, 32, 523.
27. Hardy, B. H.; Pastor, R. W. J. Comput. Chem. 1994, 15, 208.
28. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon: Oxford, 1987.
29. Press, W. H.; Flanery, B. P.; Teukolsky, S. A.; Vetterling, W. T. Numerical recipes; Cambridge University Press: New York, 1987.
30. Douglass, D. C.; McCall, D. W. J. Phys. Chem. 1958, 62, 1102.
31. Zhang, Y.; Pastor, R. W. Mol. Sim. 1994, 13, 25.
32. Rosenberg, R. O.; Berne, B. J.; Chandler, D. Chem. Phys. Lett. 1980, 75, 162.
33. Brown, D.; Clark, J. H. R. J. Chem. Phys. 1990, 92, 3062.
34. Pastor, R. W.; Karplus, M. J. Chem. Phys. 1989, 91, 211.
35. DeGroot, M. H. Probability and Statistics; Addison-Wesley: Reading, MA, 1975.
36. Lipari, G.; Szabo, A. J. Am. Chem. Soc. 1982, 104, 4546.
37. Marquardt, D. A. J. Soc. Ind. Appl. Math. 1963, 11, 431
38. Zwanzig, R.; Ailawadi, N. K. Phys. Rev. 1969, 182, 280.
39. Favro, L. D. Phys. Rev. 1960, 119, 53.
40. Brink, D. M.; Satchler, G. R. Angular Momentum; Oxford University Press: Oxford, 1968.
41. Tirado, M. M; Garcia de la Torre, J. J. Chem. Phys. 1979, 71, 2581.
42. Tirado, M. M; Garcia de la Torre, J. J. Chem. Phys. 1980, 73, 1986.
43. Henry, E. R.; Szabo, A. J. Chem. Phys. 1985, 82, 4759.
44. Levy, R. M.; Dobson, C. M.; Karplus, M. Biophys. J. 1982, 39, 107.
45. Chandresekhar, I.; Clore, G. M.; Szabo, A.; Gronenborn, A. M.; Brooks, B. R. J. Mol. Biol. 1992, 226, 239.
46. Brown, M. L.; Venable, R. M.; Pastor, R. W. Biopolymers 1995, 35, 31.
47. Seelig, A; Seelig, J. Biochemistry 1974, 13, 4839.
48. Petersen, N.; Chan, S. I. Biochemistry 1977, 16, 2657.
49. Pastor, R. W.; Venable, R. M.; Karplus, M.; Szabo, A. J. Chem. Phys. 1988, 89, 1128.