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Volumn 46, Issue 3, 1999, Pages 631-639

Construction and optimisation of a computer model for a bacterial membrane

Author keywords

Lipid bilayer; Molecular modelling; Phosphatidylethanolamine; Phosphatidylglycerol; RESP charges

Indexed keywords

BACTERIA (MICROORGANISMS);

EID: 0033257219     PISSN: 0001527X     EISSN: None     Source Type: Journal    
DOI: 10.18388/abp.1999_4135     Document Type: Article
Times cited : (19)

References (30)
  • 1
    • 3042524904 scopus 로고
    • A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: The RESP model
    • Bayly, C.I., Cieplak, P., Cornell, W.D. & Kollman, P.A. (1993) A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: The RESP model. J. Phys. Chem. 97, 10269-10280.
    • (1993) J. Phys. Chem. , vol.97 , pp. 10269-10280
    • Bayly, C.I.1    Cieplak, P.2    Cornell, W.D.3    Kollman, P.A.4
  • 2
    • 0023239664 scopus 로고
    • Lipid intermolecular hydrogen bonding: Influence on structural organization and membrane function
    • Boggs, J.M. (1987) Lipid intermolecular hydrogen bonding: Influence on structural organization and membrane function. Biochim. Biophys. Acta 906, 353-404.
    • (1987) Biochim. Biophys. Acta , vol.906 , pp. 353-404
    • Boggs, J.M.1
  • 3
    • 0019895663 scopus 로고
    • Electrical interactions in phospholipid layers
    • Bowen, P.J. & Lewis, T.J. (1983) Electrical interactions in phospholipid layers. Thin Solid Films 99, 157-163.
    • (1983) Thin Solid Films , vol.99 , pp. 157-163
    • Bowen, P.J.1    Lewis, T.J.2
  • 4
    • 84986533839 scopus 로고
    • Construction and molecular modeling of phospholipid surfaces
    • Charifson, P.S., Hiskey, R.G. & Pedersen, L.G. (1990) Construction and molecular modeling of phospholipid surfaces. J. Comp. Chem. 11, 1181-1186.
    • (1990) J. Comp. Chem. , vol.11 , pp. 1181-1186
    • Charifson, P.S.1    Hiskey, R.G.2    Pedersen, L.G.3
  • 5
    • 0028258175 scopus 로고
    • Molecular dynamics simulation of a phospholipid membrane
    • Egberts, E., Marrink, S.-J. & Berendsen, H.J.C. (1994) Molecular dynamics simulation of a phospholipid membrane. Eur. Biophys. J. 22, 432-436.
    • (1994) Eur. Biophys. J. , vol.22 , pp. 432-436
    • Egberts, E.1    Marrink, S.-J.2    Berendsen, H.J.C.3
  • 6
    • 0031714689 scopus 로고    scopus 로고
    • Structure calculation of biological macromolecules from NMR data
    • Günter, P. (1998) Structure calculation of biological macromolecules from NMR data. Quart. Rev. Biophys. 31, 145-237.
    • (1998) Quart. Rev. Biophys. , vol.31 , pp. 145-237
    • Günter, P.1
  • 7
    • 0019882643 scopus 로고
    • Preferred conformation and molecular packing of phosphatidylethanolamine and phosphatidylcholine
    • Hauser, H., Pascher, I., Pearson, R.H. & Sundell, S. (1981) Preferred conformation and molecular packing of phosphatidylethanolamine and phosphatidylcholine. Biochim. Biophys. Acta 650, 21-51.
    • (1981) Biochim. Biophys. Acta , vol.650 , pp. 21-51
    • Hauser, H.1    Pascher, I.2    Pearson, R.H.3    Sundell, S.4
  • 8
    • 0025294066 scopus 로고
    • The sampling properties of some distance geometry algorithms applied to unconstrained polypeptide chains: A study of 1830 independently computed conformations
    • Havel, T.F. (1990) The sampling properties of some distance geometry algorithms applied to unconstrained polypeptide chains: A study of 1830 independently computed conformations. Biopolymers 29, 1565-1585.
    • (1990) Biopolymers , vol.29 , pp. 1565-1585
    • Havel, T.F.1
  • 9
    • 0000048078 scopus 로고
    • Structural chemistry of 1,2-dilauroyl-DL-phosphatidylethanolamine: Molecular conformation and intermolecular packing of phospholipids
    • Hitchcock, P.B., Mason, R., Thomas, K.M. & Shipley, G.G. (1974) Structural chemistry of 1,2-dilauroyl-DL-phosphatidylethanolamine: Molecular conformation and intermolecular packing of phospholipids. Proc. Nat. Acad. Sci. U.S.A. 71, 3036-3040.
    • (1974) Proc. Nat. Acad. Sci. U.S.A. , vol.71 , pp. 3036-3040
    • Hitchcock, P.B.1    Mason, R.2    Thomas, K.M.3    Shipley, G.G.4
  • 11
    • 33645941402 scopus 로고
    • The OPLS potential functions for proteins. Energy minimization for crystals of cyclic peptides and crambin
    • Jorgensen, W.L. & Tirado-Rives, J. (1988) The OPLS potential functions for proteins. Energy minimization 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.L.1    Tirado-Rives, J.2
  • 12
    • 0026244229 scopus 로고
    • MOLSCRIPT: A program to produce both detailed and schematic plots of proteins
    • Kraulis, P. (1991) MOLSCRIPT: A program to produce both detailed and schematic plots of proteins. J. Appl. Cryst. 24, 946-950.
    • (1991) J. Appl. Cryst. , vol.24 , pp. 946-950
    • Kraulis, P.1
  • 14
    • 0021096829 scopus 로고
    • Dynamic structure and phase behavior of dimyristoylphosphatidylethanolamine bilayers studied by deuterium nuclear magnetic resonance
    • Marsh, D., Watts, A. & Smith, I.C. (1983) Dynamic structure and phase behavior of dimyristoylphosphatidylethanolamine bilayers studied by deuterium nuclear magnetic resonance. Biochemistry 22, 3023-3026.
    • (1983) Biochemistry , vol.22 , pp. 3023-3026
    • Marsh, D.1    Watts, A.2    Smith, I.C.3
  • 15
    • 0028924198 scopus 로고
    • Molecular basis for membrane selectivity of an antimicrobial peptide, magainin 2
    • Matsuzaki, K., Sugishita, K., Fujii, N. & Miyajima, K. (1995) Molecular basis for membrane selectivity of an antimicrobial peptide, magainin 2. Biochemistry 34, 3423-3429.
    • (1995) Biochemistry , vol.34 , pp. 3423-3429
    • Matsuzaki, K.1    Sugishita, K.2    Fujii, N.3    Miyajima, K.4
  • 16
    • 0030815133 scopus 로고    scopus 로고
    • Raster3D: Photorealistic molecular graphics
    • Merritt, E.A. & Bacon, D.J. (1997) Raster3D: Photorealistic molecular graphics. Methods Enzymol. 277, 505-524.
    • (1997) Methods Enzymol. , vol.277 , pp. 505-524
    • Merritt, E.A.1    Bacon, D.J.2
  • 17
    • 0002103603 scopus 로고    scopus 로고
    • Comparison of the conformation and the dynamics of saturated and monounsaturated hydrocarbon chains of phosphatidylcholines
    • Murzyn, K., Róg, T. & Pasenkiewicz-Gierula, M. (1999) Comparison of the conformation and the dynamics of saturated and monounsaturated hydrocarbon chains of phosphatidylcholines. Curr. Top. Biophys. 23, 89-96.
    • (1999) Curr. Top. Biophys. , vol.23 , pp. 89-96
    • Murzyn, K.1    Róg, T.2    Pasenkiewicz-Gierula, M.3
  • 18
    • 0023648635 scopus 로고
    • Conformation and packing properties of membrane lipids: The crystal structure of sodium dimyristoylphosphatidylglycerol
    • Pascher, I., Sundell, S., Harlos., K. & Eibl, H. (1987) Conformation and packing properties of membrane lipids: The crystal structure of sodium dimyristoylphosphatidylglycerol. Biochim. Biophys. Acta 896, 77-88.
    • (1987) Biochim. Biophys. Acta , vol.896 , pp. 77-88
    • Pascher, I.1    Sundell, S.2    Harlos, K.3    Eibl, H.4
  • 19
    • 0000065270 scopus 로고    scopus 로고
    • Hydrogen bonding of water to phosphatidylcholine in the membrane as studied by a molecular dynamics simulation: Location, geometry, and lipid-lipid bridging via hydrogen-bonded water
    • Pasenkiewicz-Gierula, M., Takaoka, Y., Miyagawa, H., Kitamura, K. & Kusumi, A. (1997) Hydrogen bonding of water to phosphatidylcholine in the membrane as studied by a molecular dynamics simulation: Location, geometry, and lipid-lipid bridging via hydrogen-bonded water. J. Phys. Chem. 101, 3677-3691.
    • (1997) J. Phys. Chem. , vol.101 , pp. 3677-3691
    • Pasenkiewicz-Gierula, M.1    Takaoka, Y.2    Miyagawa, H.3    Kitamura, K.4    Kusumi, A.5
  • 20
    • 0033015372 scopus 로고    scopus 로고
    • Charge pairing of headgroups in phosphatidylcholine membranes: A molecular dynamics simulation study
    • Pasenkiewicz-Gierula, M., Takaoka, Y., Miyagawa, H., Kitamura, K. & Kusumi, A. (1999) Charge pairing of headgroups in phosphatidylcholine membranes: A molecular dynamics simulation study. Biophys. J. 76, 1228-1240.
    • (1999) Biophys. J. , vol.76 , pp. 1228-1240
    • Pasenkiewicz-Gierula, M.1    Takaoka, Y.2    Miyagawa, H.3    Kitamura, K.4    Kusumi, A.5
  • 22
    • 0024378918 scopus 로고
    • Hydration forces between phospholipid bilayers
    • Rand, R.R & Parsegian, V.A. (1989) Hydration forces between phospholipid bilayers. Biochim, Biophys. Acta 988, 351-376.
    • (1989) Biochim, Biophys. Acta , vol.988 , pp. 351-376
    • Rand, R.R.1    Parsegian, V.A.2
  • 23
    • 33646940952 scopus 로고
    • Numerical integration of the Cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes
    • Ryckaert, J.R, Cicotti, G. & Berendsen, H.J.C. (1977) Numerical integration of the Cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes. J. Comp. Phys. 22, 327-341.
    • (1977) J. Comp. Phys. , vol.22 , pp. 327-341
    • Ryckaert, J.R.1    Cicotti, G.2    Berendsen, H.J.C.3
  • 26
    • 0015517262 scopus 로고
    • Molecular structures and conformations of the phospholipids and sphingomyelins
    • Sundaralingham, M. (1972) Molecular structures and conformations of the phospholipids and sphingomyelins. Ann. N.Y. Acad. Sci. 195, 324-355.
    • (1972) Ann. N.Y. Acad. Sci. , vol.195 , pp. 324-355
    • Sundaralingham, M.1
  • 27
    • 0032030962 scopus 로고    scopus 로고
    • The role of anionic lipids in protein insertion and translocation in bacterial membranes
    • van Klompenburg, W. & de Kruiff, B. (1998) The role of anionic lipids in protein insertion and translocation in bacterial membranes. J. Membr. Biol. 162, 1-7.
    • (1998) J. Membr. Biol. , vol.162 , pp. 1-7
    • Van Klompenburg, W.1    De Kruiff, B.2
  • 28
    • 0019874102 scopus 로고
    • Charge-induced tilt in ordered-phase phosphatidylglycerol bilayers evidence from X-ray diffraction
    • Watts, A., Harlos, K. & Marsh, D. (1981) Charge-induced tilt in ordered-phase phosphatidylglycerol bilayers evidence from X-ray diffraction. Biochim. Biophys. Acta 654, 91-96.
    • (1981) Biochim. Biophys. Acta , vol.654 , pp. 91-96
    • Watts, A.1    Harlos, K.2    Marsh, D.3
  • 29
    • 0019873962 scopus 로고
    • Saturation transfer ESR studies of molecular motion in phosphatidylglycerol bilayers in the gel phase: Effects of pretransitions and pH titration
    • Watts, A. & Marsh, D. (1981) Saturation transfer ESR studies of molecular motion in phosphatidylglycerol bilayers in the gel phase: Effects of pretransitions and pH titration. Biochim. Biophys. Acta 642, 231-241.
    • (1981) Biochim. Biophys. Acta , vol.642 , pp. 231-241
    • Watts, A.1    Marsh, D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.