Spatial and energetic-entropic decomposition of surface tension in lipid bilayers from molecular dynamics simulations

Journal of Chemical Physics

Volumn 113, Issue 9, 2000, Pages 3882-3893

  Lindahl, Erik ^a   Edholm, Olle ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; LIPIDS; MOLECULAR STRUCTURE; NUMERICAL ANALYSIS; PHASE TRANSITIONS; SURFACE TENSION; THERMAL EXPANSION; WATER;

DIPALMITOYLPHOSPHATIDYLCHOLINE; ENERGETIC ENTROPIC DECOMPOSITION; HEADGROUP WATER INTERACTION; INTERMOLECULAR INTERACTION; LIPID BILAYER; LIPID CHAIN; THERMAL EXPANSIVITY;

MOLECULAR DYNAMICS;

EID: 0034271962     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1287423     Document Type: Article

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56. D. Marsh, Biochim. Biophys. Acta 1286, 183 (1996).
57. T. R. Stouch, K. B. Ward, A. Altiera, and A. T. Hagler, J. Comput. Chem. 12, 1033 (1991).
58. T. R. Stouch, Mol. Simul. 10, 335 (1993).
59. K. Tu, D. J. Tobias, J. K. Blasie, and M. L. Klein, Biophys. J. 70, 595 (1996).
60. D. P. Tieleman, S. J. Marrink, and H. J. C. Berendsen, Biochim. Biophys. Acta 1331, 235 (1997).
61. O. Berger, O. Edholm, and F. Jähnig, Biophys. J. 72, 2002 (1997).
62. S. E. Feller and R. W. Pastor, J. Chem. Phys. 111, 1281 (1999).
63. S. E. Feller and R. W. Pastor, Biophys. J. 71, 1350 (1996).
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66. S. Nosé and M. L. Klein, Mol. Phys. 50, 1055 (1983).
67. W. van Gunsteren and M. Karplus, Macromolecules 15, 1528 (1982).
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69. S. Chiu, M. Clark, V. Balaji, S. Subramaniam, H. Scott, and E. Jakobsson, Biophys. J. 69, 1230 (1995).
70. J. Ryckaert and A. Bellemans, Chem. Phys. Lett. 30, 123 (1975).
71. W. Jorgensen and J. Tirado-Rives, J. Am. Chem. Soc. 110, 1657 (1988).
72. H. J. C. Berendsen, J. P. M. Postma, A. DiNola, and J. R. Haak, J. Comput. Phys. 81, 3684 (1984).
73. H. J. C. Berendsen, D. van der Spoel, and R. van Drunen, Comput. Phys. Commun. 91, 43 (1995).
74. B. Hess, H. Bekker, H. J. C. Berendsen, and J. G. E. M. Fraaije, J. Comput. Chem. 18, 1463 (1997).
75. S. Miyamoto and P. A. Kollman, J. Comput. Phys. 13, 952 (1992).
76. J. P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, J. Comput. Phys. 23, 327 (1977).
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78. R. Lipowsky and S. Grotehans, Biophys. Chem. 49, 27 (1994).
79. J. N. Israelachveli and H. Wennerström, J. Phys. Chem. 96, 520 (1992).
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81. W. Rawicz, K. Olbrich, T. McIntosh, D. Needham, and E. Evans, Biophys. J. 79, 328 (2000).
82. H. I. Petrache, N. Gouliaev, S. Tristram-Nagle, R. Zhang, and R. M. Suter, Biophys. J. 57, 7014 (1998).
83. H. S. Frank and M. W. Evans, J. Chem. Phys. 13, 507 (1945).
84. C. Tanford, The Hydrophobic Effect (Wiley, New York, 1980).
85. R. Goetz and R. Lipowsky, J. Chem. Phys. 108, 7397 (1998).
86. M. Venturoli and B. Smit, PhysChemComm. 2, www.rsc.org/ej/qu/1999/ 19906472/index.htm (1999).
87. R. Mendelsohn, M. A. Davies, J. W. Brauner, H. F. Schuster, and R. A. Dluhy, Biochemistry 28, 8934 (1989).
88. R. Mendelsohn, M. A. Davies, H. F. Schuster, Z. Xu, and R. Bittman, Biochemistry 30, 8558 (1991).
89. H. L. Casal and R. N. McElhaney, Biochemistry 29, 5423 (1990).
90. P. J. Flory, Statistical Mechanics of Chain Molecules (Wiley, New York, 1969).
91. R. Ladbrooke, R. Williams, and D. Chapman, Biochim. Biophys. Acta 150, 333 (1968).
92. N. Yellin and I. W. Levin, Biochemistry 16, 642 (1977).
93. D. R. Fattal and A. Ben-Shaul, Biophys. J. 65, 1795 (1993).
94. I. Szleifer, D. Kramer, and A. Ben-Shaul, J. Chem. Phys. 92, 6800 (1990).
95. J. F. Nagle, J. Chem. Phys. 58, 252 (1973).
96. W. G. Hoover and F. H. Ree, J. Chem. Phys. 49, 3609 (1968).
97. J. F. Nagle, Annu. Rev. Phys. Chem. 31, 157 (1980).
98. O. Schofield and J. R. Henderson, Proc. R. Soc. London, Ser. A 379, 231 (1982).
99. S. Tristram-Nagle, R. Zhang, R. M. Suter, C. R. Worthington, W.-J. Sun, and J. F. Nagle, Biophys. J. 64, 1097 (1993).
100. J. F. Nagle, Biophys. J. 64, 1476 (1993).