Modeling of the 3RS tau protein with self-consistent field method and Monte Carlo simulation

Soft Matter

Volumn 6, Issue 21, 2010, Pages 5533-5540

  Leermakers, F A M ^a   Jho, Y S ^b,c   Zhulina, E B ^d  

^a WAGENINGEN UNIVERSITY   (Netherlands)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c TOHOKU UNIVERSITY   (Japan)

^d INSTITUTE OF MACROMOLECULAR COMPOUNDS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

CHAIN MODELS; CHARGED PLANE; COARSE GRAINING; COMPUTATIONAL EFFORT; CONCENTRATION DEPENDENCE; CONCENTRATION PROFILES; CONFORMATIONAL PROPERTIES; LOW IONIC STRENGTH; MEAN FIELD APPROXIMATION; MICROTUBULES; MONTE CARLO SIMULATION; MONTE CARLO STUDY; SECOND LEVEL; SELF-CONSISTENT FIELD; SELF-CONSISTENT FIELD METHOD; TAU PROTEINS;

AMINO ACIDS; COMPUTER SIMULATION; CURRENT VOLTAGE CHARACTERISTICS; IONIC STRENGTH; NORMAL DISTRIBUTION; SURFACE STRUCTURE;

MONTE CARLO METHODS;

EID: 77958105243     PISSN: 1744683X     EISSN: 17446848     Source Type: Journal    
DOI: 10.1039/c0sm00191k     Document Type: Article

References (20)

1. A. Liwo S. Oldziej M. R. Pincus R. J. Wawak S. Rackovsky H. A. Scheraga United-residue force field for off-lattice protein-structure simulations. I. Functional forms and parameters of long-range side-chain interaction potentials from protein crystal data J. Comput. Chem. 1997 18 849 873
2. A.L. Fink Natively unfolded proteins Curr. Opin. Struct. Biol. 2005 15 35 41
3. M. Bathe G. C. Rutledge A. J. Grodzinsky B. Tidorz A coarse-grained molecular model for glycosaminoglycans: application to chondroitin, chondroitin sulfate, and hyaluronic acid Biophys. J. 2005 88 3870 3887
4. R. Nap I. Szleifer Structure and Interactions of Aggrecans: Statistical Thermodynamic Approach Biophys. J. 2008 95 4570 4583
5. E. B. Zhulina F. A. M. Leermakers A self-consistent field analysis of the neurofilament brush with amino-acid resolution Biophys. J. 2007 93 1431 1441
6. E. B. Zhulina F. A. M. Leermakers Effect of the ionic strength and pH on the equilibrium structure of neurofilament brush Biophys. J. 2007 93 1452 1463
7. F. A. M. Leermakers E. B. Zhulina Self-consistent field modeling of the neurofilament network Biophys. Rev. Lett. 2008 3 459 489
8. E. Fuchs D. W. Cleveland A structural scaffolding of intermediate filaments in health and disease Science 1998 279 514 519
9. L. I. Binder A. Frankfurter L. I. Rebhun The distribution of tau in the mammalian central nervous system J. Cell Biol. 1985 101 1371 1378
10. C. Ballatore V. M. Y. Lee J. Q. Trojanowski Tau-mediated neurodegeneration in Alzheimer's disease and related disorders Nature. 2007 8 663 672
11. M. C. Choi U. Raviv H. P. Miller M. R. Gaylord E. Kiris D. Ventimiglia D. J. Needleman M. W. Kim L. Wilson S. C. Feinstein C. R. Safinya Human Microtubule-Associated-Protein Tau Regulates the Number of Protofilaments in Microtubules: A Synchrotron X-Ray Scattering Study Biophys. J. 2009 97 519 527
12. Y.-S. Jho, E. B. Zhulina, M. W. Kim, and P. Pincus. The change of tau conformation under phosphorylation. Biophys. J. (submitted)
13. L. Buee T. Bussiere V. Buee-Scherrerb A. Delacourtea P. R. Hof Tau protein isoforms, phosphorylation and role in neurodegenerative disorders Brain Res. Rev. 2000 33 95 130
14. M. Lal Monte Carlo computer simulation of chain molecules. I Mol. Phys. 1969 17 57
15. J. I. Siepmann D. Frenkel Configurational bias Monte Carlo: a new sampling scheme for flexible chains Mol. Phys. 1992 75 59
16. R. H. Swendsen J. S. Wang Phys. Rev. Lett. 1986 57 2607
17. B. I. Shklovskii Screening of a macroion by multivalent ions: Correlation-induced inversion of charge Phys. Rev. E: Stat. Phys., Plasmas, Fluids, Relat. Interdiscip. Top. 1999 60 5802 5811
18. E. B. Zhulina F. A. M. Leermakers On Polyelectrolyte Brush Model of Neurofilaments Soft Matter 2009 5 15 2836 2840
19. A. V. Dobrynin M. Rubinstein J.-F. Joanny Macromolecules 1997 30 4332
20. O. V. Borisov E. B. Zhulina T. M. Birshtein Polyelectrolyte Molecule Conformation near Charged Surface J. Phys. II 1994 4 6 913 929