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Volumn 84, Issue 4, 2003, Pages 2192-2206

Molecular dynamics simulations of phospholipid bilayers with cholesterol

Author keywords

[No Author keywords available]

Indexed keywords

CHOLESTEROL; DIPALMITOYLPHOSPHATIDYLCHOLINE;

EID: 0037381939     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(03)75025-5     Document Type: Article
Times cited : (439)

References (55)
  • 1
    • 0026767199 scopus 로고
    • Lateral diffusion in the liquid phases of dimyristoylphosphatidylcholine/cholesterol lipid bilayers: A free volume analysis
    • Almeida, P. F. F., W. L. C. Vaz, and T. E. Thompson. 1992. Lateral diffusion in the liquid phases of dimyristoylphosphatidylcholine/cholesterol lipid bilayers: A free volume analysis. Biochemistry. 31:6739-6747.
    • (1992) Biochemistry , vol.31 , pp. 6739-6747
    • Almeida, P.F.F.1    Vaz, W.L.C.2    Thompson, T.E.3
  • 3
    • 0029633168 scopus 로고
    • GROMACS: A message-passing parallel molecular dynamics implementation
    • Berendsen, H. J. C., D. van der Spoel, and R. van Drunen. 1995. GROMACS: A message-passing parallel molecular dynamics implementation. Comp. Phys. Comm. 91:43-56.
    • (1995) Comp. Phys. Comm. , vol.91 , pp. 43-56
    • Berendsen, H.J.C.1    Van der Spoel, D.2    Van Drunen, R.3
  • 4
    • 0030999097 scopus 로고    scopus 로고
    • Molecular dynamics simulation of a fluid bilayer of dipalmitoylphosphatidylcholine at dull hydration, constant pressure and constant temperature
    • Berger, O., O. Edholm, and F. Jähnig. 1997. Molecular dynamics simulation of a fluid bilayer of dipalmitoylphosphatidylcholine at dull hydration, constant pressure and constant temperature. Biophys. J. 72:2002-2013.
    • (1997) Biophys. J. , vol.72 , pp. 2002-2013
    • Berger, O.1    Edholm, O.2    Jähnig, F.3
  • 5
    • 0025993884 scopus 로고
    • Physical properties of the fluid lipid-bilayer component of cell membranes: A perspective
    • Bloom, M., E. Evans, and O. G. Mouritsen. 1991. Physical properties of the fluid lipid-bilayer component of cell membranes: a perspective. Q. Rev. Biophys. 24:293-397.
    • (1991) Q. Rev. Biophys. , vol.24 , pp. 293-397
    • Bloom, M.1    Evans, E.2    Mouritsen, O.G.3
  • 6
    • 0023052472 scopus 로고
    • Structural changes in lipid bilayers and biological membranes caused by hydrostatic pressure
    • Braganza, L. F., and D. L. Worcester. 1986. Structural changes in lipid bilayers and biological membranes caused by hydrostatic pressure. Biochemistry. 25:7484-7488.
    • (1986) Biochemistry , vol.25 , pp. 7484-7488
    • Braganza, L.F.1    Worcester, D.L.2
  • 7
    • 0029099308 scopus 로고
    • Incorporation of surface tension into molecular dynamics simulation of an interface: A fluid phase lipid bilayer membrane
    • Chiu, S. W., M. Clark, V. Balaji, S. Subramaniam, H. 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.
    • (1995) Biophys. J. , vol.69 , pp. 1230-1245
    • Chiu, S.W.1    Clark, M.2    Balaji, V.3    Subramaniam, S.4    Scott, H.5    Jakobsson, E.6
  • 8
    • 0035112130 scopus 로고    scopus 로고
    • Combined Monte Carlo and molecular dynamics simulation of hydrated lipid-cholesterol lipid bilayers at low cholesterol concentration
    • Chiu, S. W., E. Jakobsson, and H. L. Scott. 2001a. Combined Monte Carlo and molecular dynamics simulation of hydrated lipid-cholesterol lipid bilayers at low cholesterol concentration. Biophys. J. 80:1104-1114.
    • (2001) Biophys. J. , vol.80 , pp. 1104-1114
    • Chiu, S.W.1    Jakobsson, E.2    Scott, H.L.3
  • 9
    • 0035932157 scopus 로고    scopus 로고
    • Combined Monte Carlo and molecular dynamics simulation of hydrated dipalmitoyl- -phosphatidylcholine-cholesterol lipid bilayers
    • Chiu, S. W., E. Jakobsson, and H. L. Scott. 2001b. Combined Monte Carlo and molecular dynamics simulation of hydrated dipalmitoyl- -phosphatidylcholine-cholesterol lipid bilayers. J. Chem. Phys. 114:5435-5443.
    • (2001) J. Chem. Phys. , vol.114 , pp. 5435-5443
    • Chiu, S.W.1    Jakobsson, E.2    Scott, H.L.3
  • 10
    • 0036787706 scopus 로고    scopus 로고
    • Cholesterol-induced modifications in lipid bilayers: A simulation study
    • Chiu, S. W., E. Jakobsson, R. J. Mashl, and H. L. Scott. 2002. Cholesterol-induced modifications in lipid bilayers: A simulation study. Biophys. J. 83:1842-1853.
    • (2002) Biophys. J. , vol.83 , pp. 1842-1853
    • Chiu, S.W.1    Jakobsson, E.2    Mashl, R.J.3    Scott, H.L.4
  • 11
    • 0000448923 scopus 로고
    • Pseudosymmetry in cholesterol monohydrate
    • Craven, B. M. 1979. Pseudosymmetry in cholesterol monohydrate. Acta Crystallogr. B. 35:1123-1128.
    • (1979) Acta Crystallogr. B , vol.35 , pp. 1123-1128
    • Craven, B.M.1
  • 12
    • 0344405161 scopus 로고
    • Bending elasticity and thermal excitations of lipid bilayer vesicles: Modulation by solutes
    • Duwe, H. P., and E. Sackmann. 1990. Bending elasticity and thermal excitations of lipid bilayer vesicles: Modulation by solutes. Physics A. 163:410-428.
    • (1990) Physics A , vol.163 , pp. 410-428
    • Duwe, H.P.1    Sackmann, E.2
  • 13
    • 0026668115 scopus 로고
    • Cholesterol in model membranes
    • Edholm, O., and A. Nyberg. 1992. Cholesterol in model membranes. Biophys. J. 63:1081-1089.
    • (1992) Biophys. J. , vol.63 , pp. 1081-1089
    • Edholm, O.1    Nyberg, A.2
  • 14
    • 0012627630 scopus 로고
    • Molecular dynamics simulation of a smectic liquid crystal with atomic detail
    • Egberts, E., and H. J. C. Berendsen. 1988. Molecular dynamics simulation of a smectic liquid crystal with atomic detail. J. Chem. Phys. 98:1712-1720.
    • (1988) J. Chem. Phys. , vol.98 , pp. 1712-1720
    • Egberts, E.1    Berendsen, H.J.C.2
  • 15
    • 0033030567 scopus 로고    scopus 로고
    • Dynamical properties of phospholipid bilayers from computer simulation
    • Essmann, U., and M. L. Berkowitz. 1999. Dynamical properties of phospholipid bilayers from computer simulation. Biophys. J. 76:2081-2089.
    • (1999) Biophys. J. , vol.76 , pp. 2081-2089
    • Essmann, U.1    Berkowitz, M.L.2
  • 16
    • 11944258697 scopus 로고
    • Entropy driven tension and bending elasticity in condensed-fluid membranes
    • Evans, E., and W. Rawicz. 1990. Entropy driven tension and bending elasticity in condensed-fluid membranes. Phys. Rev. Lett. 64:2094-2097.
    • (1990) Phys. Rev. Lett. , vol.64 , pp. 2094-2097
    • Evans, E.1    Rawicz, W.2
  • 17
    • 0032614136 scopus 로고    scopus 로고
    • Constant surface tension simulations of lipid bilayers: The sensitivity of surface areas and compressibilities
    • Feller, S. E., and R. W. Pastor. 1999. Constant surface tension simulations of lipid bilayers: The sensitivity of surface areas and compressibilities. J. Chem. Phys. 111:1281-1287.
    • (1999) J. Chem. Phys. , vol.111 , pp. 1281-1287
    • Feller, S.E.1    Pastor, R.W.2
  • 19
    • 0001008704 scopus 로고
    • Molecular dynamics simulation of a bilayer of 200 lipids in the gel and in the liquid crystal-phases
    • Heller, H., M. Schaefer, and K. Schulten. 1993. Molecular dynamics simulation of a bilayer of 200 lipids in the gel and in the liquid crystal-phases. J. Phys. Chem. 97:8343-8360.
    • (1993) J. Phys. Chem. , vol.97 , pp. 8343-8360
    • Heller, H.1    Schaefer, M.2    Schulten, K.3
  • 21
    • 0001538909 scopus 로고
    • Canonical dynamics: Equilibrium phase-space distributions
    • Hoover, W. G. 1985. Canonical dynamics: Equilibrium phase-space distributions. Phys. Rev. A. 31:1695-1697.
    • (1985) Phys. Rev. A , vol.31 , pp. 1695-1697
    • Hoover, W.G.1
  • 22
    • 33645941402 scopus 로고
    • The OPLS potential functions for proteins. Energy minimizations for crystals of cyclic peptides and crambin
    • Jorgensen, W., and J. Tirado-Rives. 1988. The OPLS potential functions for proteins. Energy minimizations for crystals of cyclic peptides and crambin. J. Am. Chem. Soc. 110:1657-1666.
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 1657-1666
    • Jorgensen, W.1    Tirado-Rives, J.2
  • 23
    • 0018803817 scopus 로고
    • Lipid Lateral Diffusion by pulsed nuclear magnetic resonance
    • Kuo, A. L., and C. Wade. 1979. Lipid Lateral Diffusion by pulsed nuclear magnetic resonance. Biochemistry. 18:2300-2308.
    • (1979) Biochemistry , vol.18 , pp. 2300-2308
    • Kuo, A.L.1    Wade, C.2
  • 24
    • 0033932839 scopus 로고    scopus 로고
    • Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations
    • Lindahl, E., and O. Edholm. 2000. Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations. Biophys. J. 79:426-433.
    • (2000) Biophys. J. , vol.79 , pp. 426-433
    • Lindahl, E.1    Edholm, O.2
  • 25
    • 0035828364 scopus 로고    scopus 로고
    • Molecular dynamics simulations of NMR relaxation rates and slow dynamics in lipid bilayers
    • Lindahl, E., and O. Edholm. 2001. Molecular dynamics simulations of NMR relaxation rates and slow dynamics in lipid bilayers. J. Chem. Phys. 115:4938-4950.
    • (2001) J. Chem. Phys. , vol.115 , pp. 4938-4950
    • Lindahl, E.1    Edholm, O.2
  • 26
    • 0035789518 scopus 로고    scopus 로고
    • Gromacs 3.0: A package for molecular simulation and trajectory analysis
    • Lindahl, E., B. Hess, and D. van der Spoel. 2001. Gromacs 3.0: A package for molecular simulation and trajectory analysis. J. Mol. Model. 7:306-317.
    • (2001) J. Mol. Model , vol.7 , pp. 306-317
    • Lindahl, E.1    Hess, B.2    Van der Spoel, D.3
  • 28
    • 84986440341 scopus 로고
    • SETTLE: An analytical version of the SHAKE and RATTLE algorithms for rigid water models
    • Miyamoto, S., and P. A. Kollman. 1992. SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid Water Models. J. Comput. Chem. 13:952-962.
    • (1992) J. Comput. Chem. , vol.13 , pp. 952-962
    • Miyamoto, S.1    Kollman, P.A.2
  • 29
    • 0024280716 scopus 로고
    • Structure of fully hydrated bilayer dispersions
    • Nagle, J. F., and M. C. Wiener. 1988. Structure of fully hydrated bilayer dispersions. Biochim. Biophys. Acta. 942:1-10.
    • (1988) Biochim. Biophys. Acta , vol.942 , pp. 1-10
    • Nagle, J.F.1    Wiener, M.C.2
  • 31
    • 0024298866 scopus 로고
    • Thermomechanical and transition properties of dimyristoylphosphatidylcholine/cholesterol bilayers
    • Needham, D., T. J. McIntosh, and E. Evans. 1988. Thermomechanical and transition properties of dimyristoylphosphatidylcholine/cholesterol bilayers. Biochemistry. 27:4668-4673.
    • (1988) Biochemistry , vol.27 , pp. 4668-4673
    • Needham, D.1    McIntosh, T.J.2    Evans, E.3
  • 32
    • 84943502952 scopus 로고
    • A molecular dynamics method for simulations in the canonical ensemble
    • Nosé, S. 1984. A molecular dynamics method for simulations in the canonical ensemble. Mol. Phys. 55:255-268.
    • (1984) Mol. Phys. , vol.55 , pp. 255-268
    • Nosé, S.1
  • 33
    • 0031879991 scopus 로고    scopus 로고
    • 2H nuclear magnetic resonance and infrared spectroscopic investigation
    • 2H nuclear magnetic resonance and infrared spectroscopic investigation. Biophys. J. 74:899-909.
    • (1998) Biophys. J. , vol.74 , pp. 899-909
    • Paré, C.1    Lafleur, M.2
  • 34
    • 0343067147 scopus 로고    scopus 로고
    • Cholesterol effects on the phosphatidylcholine bilayer polar region: A molecular simulation study
    • Pasenkiewicz-Gierula, M., T. Róg, K. Kitamura, and A. Kusumi. 2000. Cholesterol effects on the phosphatidylcholine bilayer polar region: A molecular simulation study. Biophys. J. 78:1376-1389.
    • (2000) Biophys. J. , vol.78 , pp. 1376-1389
    • Pasenkiewicz-Gierula, M.1    Róg, T.2    Kitamura, K.3    Kusumi, A.4
  • 35
    • 0028124519 scopus 로고
    • Computer simulations of lipid bilayers
    • Pastor, R. W. 1994. Computer simulations of lipid bilayers. Curr. Opin. Struct. Biol. 4:486-492.
    • (1994) Curr. Opin. Struct. Biol. , vol.4 , pp. 486-492
    • Pastor, R.W.1
  • 36
    • 0032990614 scopus 로고    scopus 로고
    • Analysis of simulated NMR order parameters for lipid bilayer structure determination
    • Petrache, H. I., K. Tu, and J. F. Nagle. 1999. Analysis of Simulated NMR Order Parameters for lipid bilayer structure determination. Biophys. J. 76:2479-2487.
    • (1999) Biophys. J. , vol.76 , pp. 2479-2487
    • Petrache, H.I.1    Tu, K.2    Nagle, J.F.3
  • 38
    • 0028835996 scopus 로고
    • Behavior of cholesterol and its effect on headgroup and chain conformations in lipid bilayers: A molecular dynamics study
    • Robinson, A. J., G. Richards, P. J. Thomas, and M. M. Hann. 1995. Behavior of cholesterol and its effect on headgroup and chain conformations in lipid bilayers: A molecular dynamics study. Biophys. J. 68:164-170.
    • (1995) Biophys. J. , vol.68 , pp. 164-170
    • Robinson, A.J.1    Richards, G.2    Thomas, P.J.3    Hann, M.M.4
  • 39
    • 0034805275 scopus 로고    scopus 로고
    • Cholesterol effects on the phosphatidylcholine bilayer nonpolar region: A molecular simulation study
    • Róg, T., and M. Pasenkiewicz-Gierula. 2001. Cholesterol effects on the phosphatidylcholine bilayer nonpolar region: A molecular simulation study. Biophys. J. 81:2190-2202.
    • (2001) Biophys. J. , vol.81 , pp. 2190-2202
    • Róg, T.1    Pasenkiewicz-Gierula, M.2
  • 40
    • 0015500917 scopus 로고
    • Molecular mechanism for the interaction of phospholipid with cholesterol
    • Rothman, J. E., and D. E. Engelman. 1972. Molecular mechanism for the interaction of phospholipid with cholesterol. Nat. New Biol. 237:42-44.
    • (1972) Nat. New Biol. , vol.237 , pp. 42-44
    • Rothman, J.E.1    Engelman, D.E.2
  • 41
    • 49549141675 scopus 로고
    • Molecular dynamics of n-butane near its boiling point
    • Ryckaert, J.-P., and A. Bellemans. 1975. Molecular dynamics of n-butane near its boiling point. Chem. Phys. Lett. 30:123-125.
    • (1975) Chem. Phys. Lett. , vol.30 , pp. 123-125
    • Ryckaert, J.-P.1    Bellemans, A.2
  • 43
    • 0024535612 scopus 로고
    • Lipid chains and cholesterol in membranes: A Monte Carlo study
    • Scott, H. L., and S. Kalaskar. 1989. Lipid chains and cholesterol in membranes: A Monte Carlo study. Biochemistry. 28:3687-3691.
    • (1989) Biochemistry , vol.28 , pp. 3687-3691
    • Scott, H.L.1    Kalaskar, S.2
  • 44
    • 0026030206 scopus 로고
    • Lipid cholesterol interactions: Monte Carlo simulations and theory
    • Scott, H. L. 1991. Lipid cholesterol interactions: Monte Carlo simulations and theory. Biophys. J. 59:445-455.
    • (1991) Biophys. J. , vol.59 , pp. 445-455
    • Scott, H.L.1
  • 45
    • 0036667740 scopus 로고    scopus 로고
    • Modeling the lipid components of membranes
    • Scott, H. L. 2002. Modeling the lipid components of membranes. Curr. Opin. Struct. Biol. 12:495-502.
    • (2002) Curr. Opin. Struct. Biol. , vol.12 , pp. 495-502
    • Scott, H.L.1
  • 46
    • 0016283654 scopus 로고
    • Dynamic structure of fatty acyl chains in a phospholipid bilayer measured by dmr
    • Seelig, J., and A. Seelig. 1974. Dynamic structure of fatty acyl chains in a phospholipid bilayer measured by dmr. Biochemistry. 13:4839-4845.
    • (1974) Biochemistry , vol.13 , pp. 4839-4845
    • Seelig, J.1    Seelig, A.2
  • 47
    • 0032863720 scopus 로고    scopus 로고
    • Structure of dipalmitoylphosphatidylcholine/cholesterol bilayer at low and High cholesterol concentrations: Molecular dynamics simulation
    • Smondyrev, A. M., and M. L. Berkowitz. 1999. Structure of dipalmitoylphosphatidylcholine/cholesterol bilayer at low and High cholesterol concentrations: molecular dynamics simulation. Biophys. J. 77:2075-2089.
    • (1999) Biophys. J. , vol.77 , pp. 2075-2089
    • Smondyrev, A.M.1    Berkowitz, M.L.2
  • 48
    • 0034028429 scopus 로고    scopus 로고
    • Molecular dynamics simulation of dipalmitoylphosphatidylcholine membrane with cholesterol sulfate
    • Smondyrev, A. M., and M. L. Berkowitz. 2000. Molecular dynamics simulation of dipalmitoylphosphatidylcholine membrane with cholesterol sulfate. Biophys. J. 78:1672-1680.
    • (2000) Biophys. J. , vol.78 , pp. 1672-1680
    • Smondyrev, A.M.1    Berkowitz, M.L.2
  • 49
    • 0035073937 scopus 로고    scopus 로고
    • Molecular dynamics simulation of the structure of dipalmitoylphosphatidylcholine bilayers with cholesterol, ergosterol and lanosterol
    • Smondyrev, A. M., and M. L. Berkowitz. 2001. Molecular dynamics simulation of the structure of dipalmitoylphosphatidylcholine bilayers with cholesterol, ergosterol and lanosterol. Biophys. J. 80:1649-1658.
    • (2001) Biophys. J. , vol.80 , pp. 1649-1658
    • Smondyrev, A.M.1    Berkowitz, M.L.2
  • 50
    • 0017008120 scopus 로고
    • A deuterium magnetic resonance study of the condensing effect of cholesterol on egg phosphatidylcholine bilayer membranes. I. Perdeturated fatty acid probes
    • Stockton, G. W., and I. C. P. Smith. 1976. A deuterium magnetic resonance study of the condensing effect of cholesterol on egg phosphatidylcholine bilayer membranes. I. Perdeturated fatty acid probes. Chem. Phys. Lipids. 17:251-263.
    • (1976) Chem. Phys. Lipids , vol.17 , pp. 251-263
    • Stockton, G.W.1    Smith, I.C.P.2
  • 51
    • 0031438285 scopus 로고    scopus 로고
    • A computer perspective of membranes: Molecular dynamics studies of lipid bilayer systems
    • Tieleman, D. P., S.-J. Marrink, and H. J. C. Berendsen. 1997. A computer perspective of membranes: Molecular dynamics studies of lipid bilayer systems. Biochim. Biophys. Acta. 1331:235-270.
    • (1997) Biochim. Biophys. Acta , vol.1331 , pp. 235-270
    • Tieleman, D.P.1    Marrink, S.-J.2    Berendsen, H.J.C.3
  • 52
    • 0030031374 scopus 로고    scopus 로고
    • Molecular dynamics investigation of the structure of a fully hydrated gel-phase dipalmitoylphosphatidylcholine bilayer
    • Tu, K., D. J. Tobias, J. K. Blasie, and M. L. Klein. 1996. Molecular dynamics investigation of the structure of a fully hydrated gel-phase dipalmitoylphosphatidylcholine bilayer. Biophys. J. 70:595-608.
    • (1996) Biophys. J. , vol.70 , pp. 595-608
    • Tu, K.1    Tobias, D.J.2    Blasie, J.K.3    Klein, M.L.4
  • 53
    • 0031752966 scopus 로고    scopus 로고
    • Constant-pressure molecular dynamics investigation of cholesterol effects in a dipalmitoylphosphatidylcholine bilayer
    • Tu, K., M. L. Klein, and D. J. Tobias. 1998. Constant-pressure molecular dynamics investigation of cholesterol effects in a dipalmitoylphosphatidylcholine bilayer. Biophys. J. 75:2147-2156.
    • (1998) Biophys. J. , vol.75 , pp. 2147-2156
    • Tu, K.1    Klein, M.L.2    Tobias, D.J.3
  • 55
    • 0022434009 scopus 로고
    • Translational diffusion of lipids in liquid crystalline phase phosphatidylcholine multibilayers. A comparison of experiment with theory
    • Vaz, W. L. C., R. M. Clegg, and D. Hallmann. 1985. Translational diffusion of lipids in liquid crystalline phase phosphatidylcholine multibilayers. A comparison of experiment with theory. Biochemistry. 24:781-786.
    • (1985) Biochemistry , vol.24 , pp. 781-786
    • Vaz, W.L.C.1    Clegg, R.M.2    Hallmann, D.3


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