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Volumn 71, Issue 4, 1996, Pages 2201-2212

Calculation of electron paramagnetic resonance spectra from brownian dynamics trajectories: Application to nitroxide side chains in proteins

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIORHODOPSIN; LEUCINE; MUTANT PROTEIN; NITROGEN OXIDE;

EID: 0029791152     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(96)79421-3     Document Type: Article
Times cited : (97)

References (32)
  • 1
    • 0025346254 scopus 로고
    • Transmembrane protein structure: Spin labeling of bacteriorhodopsin mutants
    • Altenbach. C., T. Marti, H. G. Khorana, and W. L. Hubbell. 1990. Transmembrane protein structure: spin labeling of bacteriorhodopsin mutants. Science. 248:1088-1092.
    • (1990) Science , vol.248 , pp. 1088-1092
    • Altenbach, C.1    Marti, T.2    Khorana, H.G.3    Hubbell, W.L.4
  • 2
    • 0028346566 scopus 로고
    • A collision gradient method to determine the immersion depth of nitroxides in lipid bilayers: Application to spin-labeled mutants of bacteriorhodopsin
    • Altenbach, C., D. Greenhalgh, H. G. Khorana, and W. L. Hubbell. 1994. A collision gradient method to determine the immersion depth of nitroxides in lipid bilayers: application to spin-labeled mutants of bacteriorhodopsin. Proc. Natl. Acad. Sci. USA. 91:1667-1671.
    • (1994) Proc. Natl. Acad. Sci. USA , vol.91 , pp. 1667-1671
    • Altenbach, C.1    Greenhalgh, D.2    Khorana, H.G.3    Hubbell, W.L.4
  • 3
    • 0011881767 scopus 로고
    • Factors that determine the EPR spectra of nitroxide side-chains in spin labeled proteins and analysis by molecular dynamics simulation
    • Altenbach, C., H.-J. Steinhoff, D. A. Greenhalgh, H. G. Khorana, and W. L. Hubbell. 1994. Factors that determine the EPR spectra of nitroxide side-chains in spin labeled proteins and analysis by molecular dynamics simulation. Biophys. J. 65a:40.
    • (1994) Biophys. J. , vol.65 A , pp. 40
    • Altenbach, C.1    Steinhoff, H.-J.2    Greenhalgh, D.A.3    Khorana, H.G.4    Hubbell, W.L.5
  • 7
    • 0029000691 scopus 로고
    • Methodological advances in molecular dynamics simulations of biological systems
    • Brooks, C. L. III. 1995. Methodological advances in molecular dynamics simulations of biological systems. Curr. Opin. Struct. Biol. 5:211-215.
    • (1995) Curr. Opin. Struct. Biol. , vol.5 , pp. 211-215
    • Brooks III, C.L.1
  • 8
    • 0002844265 scopus 로고
    • Theory of slow tumbling ESR spectra for nitroxides
    • L. J. Berliner, editor. Academic Press, New York
    • Freed, J. H. 1976. Theory of slow tumbling ESR spectra for nitroxides. In Spin Labeling Theory and Applications. L. J. Berliner, editor. Academic Press, New York. 53-132.
    • (1976) Spin Labeling Theory and Applications , pp. 53-132
    • Freed, J.H.1
  • 9
    • 0018780591 scopus 로고
    • Side chain torsional potentials: Effects of dipeptide, protein and solvent environment
    • Gelin, B. R., and M. Karplus. 1979. Side chain torsional potentials: effects of dipeptide, protein and solvent environment. Biochemistry. 18: 1256-1268.
    • (1979) Biochemistry , vol.18 , pp. 1256-1268
    • Gelin, B.R.1    Karplus, M.2
  • 10
    • 0027488790 scopus 로고
    • An electron spin resonance study of interactions between gramicidin A′ and phosphatidylcholine bilayers
    • Ge, M., and J. Freed. 1993. An electron spin resonance study of interactions between gramicidin A′ and phosphatidylcholine bilayers. Biophys. J. 65:2106-2123.
    • (1993) Biophys. J. , vol.65 , pp. 2106-2123
    • Ge, M.1    Freed, J.2
  • 11
    • 9644301524 scopus 로고
    • Stochastic dynamics for molecules with constrains, Brownian dynamics of n-alkanes
    • Gunsteren, van, W. F., H. J. C. Berendsen, and J. A. C. Rullmann. 1981. Stochastic dynamics for molecules with constrains, Brownian dynamics of n-alkanes. Mol. Phys. 44:69-95.
    • (1981) Mol. Phys. , vol.44 , pp. 69-95
    • Van Gunsteren, W.F.1    Berendsen, H.J.C.2    Rullmann, J.A.C.3
  • 12
  • 13
    • 0025292355 scopus 로고
    • Model for the structure of bacteriorhodopsin based on high-resolution electron cryo-microscopy
    • Henderson, R., J. M. Baldwin, T. A. Ceska, F. Zemlin, E. Beckmann, and K. H. Downing. 1990. Model for the structure of bacteriorhodopsin based on high-resolution electron cryo-microscopy. J. Mol. Biol. 213: 899-929.
    • (1990) J. Mol. Biol. , vol.213 , pp. 899-929
    • Henderson, R.1    Baldwin, J.M.2    Ceska, T.A.3    Zemlin, F.4    Beckmann, E.5    Downing, K.H.6
  • 14
    • 0028108981 scopus 로고
    • Investigation of structure and dynamics in membrane proteins using site-directed spin labeling. Current opinions in struct
    • Hubbell, W. L., and C. Altenbach. 1994. Investigation of structure and dynamics in membrane proteins using site-directed spin labeling. Current opinions in struct. Biology. 4:566-573.
    • (1994) Biology , vol.4 , pp. 566-573
    • Hubbell, W.L.1    Altenbach, C.2
  • 15
    • 0001427737 scopus 로고
    • Orientation dependence of the electron spin resonance spectrum of di-t-butyl nitroxide
    • Libertini, L. J., and O. H. Griffith. 1970. Orientation dependence of the electron spin resonance spectrum of di-t-butyl nitroxide. J. Chem. Phys. 53:1359-1367.
    • (1970) J. Chem. Phys. , vol.53 , pp. 1359-1367
    • Libertini, L.J.1    Griffith, O.H.2
  • 16
    • 0010413677 scopus 로고
    • Effects of hydrophobic interactions on dynamics in aqueous solutions studied by EPR
    • Jolicoeur, C., and H. L. Friedman. 1971. Effects of hydrophobic interactions on dynamics in aqueous solutions studied by EPR. Ber. Bunsenges. Phys. Chem. 75:248-257.
    • (1971) Ber. Bunsenges. Phys. Chem. , vol.75 , pp. 248-257
    • Jolicoeur, C.1    Friedman, H.L.2
  • 17
    • 0026055737 scopus 로고
    • Position-dependent local motions in spin-labeled analogues of a short α-helical peptide determined by electron spin resonance
    • Miick, S. M., A. P. Todd, and G. L. Millhauser. 1991. Position-dependent local motions in spin-labeled analogues of a short α-helical peptide determined by electron spin resonance. Biochemistry. 30:9498-9503.
    • (1991) Biochemistry , vol.30 , pp. 9498-9503
    • Miick, S.M.1    Todd, A.P.2    Millhauser, G.L.3
  • 18
    • 0027219183 scopus 로고
    • Experimental molecular dynamics of an alanine-based helical peptide determined by spin label electron spin resonance
    • Miick, S. M., K. M. Casteel, and G. L. Millhauser. 1993. Experimental molecular dynamics of an alanine-based helical peptide determined by spin label electron spin resonance. Biochemistry. 32:8014-8021.
    • (1993) Biochemistry , vol.32 , pp. 8014-8021
    • Miick, S.M.1    Casteel, K.M.2    Millhauser, G.L.3
  • 19
    • 0001394831 scopus 로고
    • Direct simulation of continuous wave electron paramagnetic resonance spectra from Brownian dynamics trajectories
    • Robinson, B. H., L. J. Slutsky, and F. P. Auteri. 1992. Direct simulation of continuous wave electron paramagnetic resonance spectra from Brownian dynamics trajectories. J. Chem. Phys. 96:2609-2616.
    • (1992) J. Chem. Phys. , vol.96 , pp. 2609-2616
    • Robinson, B.H.1    Slutsky, L.J.2    Auteri, F.P.3
  • 20
    • 0001867405 scopus 로고
    • Calculating slow motional magnetic resonance spectra: A users guide
    • L. J. Berliner and J. Reuben, editors. Plenum Press, New York
    • Schneider, D. J., and J. H. Freed. 1989. Calculating slow motional magnetic resonance spectra: a users guide. In Biological Magnetic Resonance 8, Spin Labeling. L. J. Berliner and J. Reuben, editors. Plenum Press, New York. 1-76.
    • (1989) Biological Magnetic Resonance 8, Spin Labeling , pp. 1-76
    • Schneider, D.J.1    Freed, J.H.2
  • 21
    • 0024215283 scopus 로고
    • A simple method for determination of rotational correlation times and separation of rotational and polarity effects from EPR spectra of spin-labeled biomolecules in a wide correlation time range
    • Steinhoff, H.-J. 1988. A simple method for determination of rotational correlation times and separation of rotational and polarity effects from EPR spectra of spin-labeled biomolecules in a wide correlation time range. J. Biochem. Biophys. Methods. 17:237-248.
    • (1988) J. Biochem. Biophys. Methods. , vol.17 , pp. 237-248
    • Steinhoff, H.-J.1
  • 22
    • 0024638804 scopus 로고
    • Residual motion of hemoglobin-bound spin labels as a probe for protein dynamics
    • Steinhoff, H.-J., K. Lieutenant, and J. Schlitter. 1989. Residual motion of hemoglobin-bound spin labels as a probe for protein dynamics. Z Naturforsch. 44c:280-288.
    • (1989) Z Naturforsch. , vol.44 C , pp. 280-288
    • Steinhoff, H.-J.1    Lieutenant, K.2    Schlitter, J.3
  • 23
    • 0025194961 scopus 로고
    • Residual motion of hemoglobin-bound spin labels and protein dynamics: Viscosity dependence of the rotational correlation times
    • Steinhoff, H.-J. 1990. Residual motion of hemoglobin-bound spin labels and protein dynamics: viscosity dependence of the rotational correlation times. Eur. Biophys. J. 18:57-62.
    • (1990) Eur. Biophys. J. , vol.18 , pp. 57-62
    • Steinhoff, H.-J.1
  • 24
    • 0011772783 scopus 로고
    • Protein dynamics and EPR-spectroskopy: Comparison of molecular dynamic simulations with experiment
    • Steinhoff, H.-J., and C. Karim. 1993. Protein dynamics and EPR-spectroskopy: comparison of molecular dynamic simulations with experiment. Ber. Bunsenges. Phys. Chem. 97:163-171.
    • (1993) Ber. Bunsenges. Phys. Chem. , vol.97 , pp. 163-171
    • Steinhoff, H.-J.1    Karim, C.2
  • 25
    • 0027374170 scopus 로고
    • Rotational and translational water diffusion in the hemoglobin hydration shell: Dielectric and proton nuclear relaxation measurements
    • Steinhoff, H.-J., B. Kramm, G. Hess, C. Owerdieck, and A. Redhardt. 1993. Rotational and translational water diffusion in the hemoglobin hydration shell: dielectric and proton nuclear relaxation measurements. Biophys. J. 65:1486-1495.
    • (1993) Biophys. J. , vol.65 , pp. 1486-1495
    • Steinhoff, H.-J.1    Kramm, B.2    Hess, G.3    Owerdieck, C.4    Redhardt, A.5
  • 26
  • 28
    • 0042382486 scopus 로고
    • Direct determination of rotational correlation time by electron-spin echoes
    • Stillman, A. E., L. J. Schwartz, and J. H. Freed. 1980. Direct determination of rotational correlation time by electron-spin echoes. J. Chem. Phys. 73:3502-3503.
    • (1980) J. Chem. Phys. , vol.73 , pp. 3502-3503
    • Stillman, A.E.1    Schwartz, L.J.2    Freed, J.H.3
  • 29
    • 0024809884 scopus 로고
    • Site-directed mutagenesis of colicin EI provides specific attachment sites for spin labels whose spectra are sensitive to local conformation
    • Todd, A. P., J. Cong, F. Levinthal, C. Levinthal, and W. L. Hubbell. 1989. Site-directed mutagenesis of colicin EI provides specific attachment sites for spin labels whose spectra are sensitive to local conformation. Proteins. 6:294-305.
    • (1989) Proteins , vol.6 , pp. 294-305
    • Todd, A.P.1    Cong, J.2    Levinthal, F.3    Levinthal, C.4    Hubbell, W.L.5
  • 30
    • 0025776471 scopus 로고
    • ESR spectra reflect local and global mobility in a short spin-labeled peptide throughout the α-helixcoil transition
    • Todd, A. P., and G. L. Millhauser. 1991. ESR spectra reflect local and global mobility in a short spin-labeled peptide throughout the α-helixcoil transition. Biochemistry. 30:5515-5523.
    • (1991) Biochemistry , vol.30 , pp. 5515-5523
    • Todd, A.P.1    Millhauser, G.L.2
  • 31
    • 0000481877 scopus 로고
    • Rapid anisotropic motion of spin labels. Models for motion averaging of the ESR parameters
    • Van, S. P., G. B. Birrell, and O. H. Griffith. 1974. Rapid anisotropic motion of spin labels. Models for motion averaging of the ESR parameters. J. Magn. Reson. 15:444-459.
    • (1974) J. Magn. Reson. , vol.15 , pp. 444-459
    • Van, S.P.1    Birrell, G.B.2    Griffith, O.H.3
  • 32
    • 36749121679 scopus 로고
    • Dynamical orientation correlations in solution
    • Wolynes, P. G., and J. M. Deutch. 1977. Dynamical orientation correlations in solution. J. Chem. Phys. 67:733-741.
    • (1977) J. Chem. Phys. , vol.67 , pp. 733-741
    • Wolynes, P.G.1    Deutch, J.M.2


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