Molecular dynamics simulation of the kinetics of spontaneous micelle formation

Journal of Physical Chemistry B

Volumn 104, Issue 51, 2000, Pages 12165-12173

  Marrink, S J ^a   Tieleman, D P ^b   Mark, A E ^a  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

^b UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CRITICAL MICELLE CONCENTRATION; FREE ENERGY; HYDROPHOBICITY; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PHOSPHORUS COMPOUNDS; REACTION KINETICS;

DODECYLPHOSPHOCHOLINE;

SURFACE ACTIVE AGENTS;

EID: 0034499269     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp001898h     Document Type: Article

References (24)

1. Smit, B.; Hilbers, P.; Esselink, K.; Rupert, L.; van Os, N.; Schlijper, A. J. Phys. Chem. 1991, 95, 6361.
2. Smit, B.; Esselink, K.; Hilbers, P.; van Os, N.; Rupert, L.; Szleifer, I. Langmuir 1993, 9, 9.
3. Goetz, R.; Lipowsky, R. J. Chem. Phys. 1998, WS, 7397.
4. Lannibois, H.; Hasmy, A.; Botet, R.; Chario!, O.; Cabane, B. J. Phys. 11 Fr. 1997, 7, 319.
5. Mavelli, F.; Maestro, M. J. Chem. Phys. 1999, 111, 4310.
6. Tieleman, D. R; Marrink, S. J.; Berendsen, H. J. C. Biochim. Biophys. Acta 1997, 1331, 235.
7. Tarek, M.; Bandyopadhyay, S.; Klein, M. L. J. Mol. Liq. 1998, 78, 1.
8. Salaniwal, S.; Cui, S.; Cummings, R; Cochran, H. Langmuir 1999, 15, 5188.
9. Maillet, J.; Lachet, V.; Coveney, V. Phys. Chem. Chem. Phys. 1999, 1, 5277.
10. Kallick, D. A.; Tessmer, M. R.; Watts, C. R.; Li, C.-Y. J. Magn. Reson. B 1995, 709, 60.
11. Beswick, V.; Guerois, R.; Cordier-Ochsenbein, F.; Coïc, Y.-M.; Huynh-Dinh, T.; Tostain, J.; Noël, J.-R; Sanson, A.; Neumann, J.-M. Eur. Biophys. J 1998, 28, 48.
12. Lauterwein, J.; Bösch, C.; Brown, L. R.; Wüthrich, K. Biochim. Biophys. Acta 1979, 556, 244.
13. Wymore, T.; Gao, X. F.; Wong, T. C. J. Mol. Struct. 1999, 795, 485-486.
14. Tieleman, D. P.; van der Spoel, D.; Berendsen, H. J. C. J. Phys. Chem. B, in press.
15. Ginncl, R. Association Theory; Elsevier: Amsterdam, 1979.
16. Evans, D.; Wennerstrom, H. Vie Colloidal Domain: Where Physics, Chemistry, Biology, and Technology Meet; Wiley: New York, 1999.
17. Gillespie, D. J. Comput. Phys. 1976, 22, 403.
18. van der Spoel, D.; van Buuren, A. R.; Apol, E.; Meulenhoff, P. J.; Tieleman, D. P.; Sijbers, A. L. T. M.; van Drunen, R.; Berendsen, H. J. C. Gromacs User Manual version 1.2, Nijenborgh 4, 9747 AG Groningen, The Netherlands. Internet: http://rugmdO.chem.rug.nl/ gmx, 1996.
19. Berendsen, H. J. C.; Postma, J. P. M.; Gunsteren, W. F.; Hermans, J. Interaction models for water in relation to protein hydration. In Intermoleciilar Forces; Pullman, B., Ed.; Reidel: Dordrecht, The Netherlands, 1981; pp 331-342.
20. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684.
21. Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G. E. M. J. Comput. Chem. 1997, 18, 1463.
22. Miyamoto, S.; Kollman, P. A. J. Comput. Chem. 1992, 13, 952.
23. Feenstra, K. A.; Hess, B.; Berendsen, H. J. C. J. Comput. Chem. 1999, 20, 786.
24. Bogusz, S.; Venable, R.; Pastor, R. J. Phys. Chem. B, in press.