Generalized-ensemble simulations of the human parathyroid hormone fragment PTH(1-34)

Journal of Chemical Physics

Volumn 120, Issue 1, 2004, Pages 417-422

  Hansmann, Ulrich H E ^a  

^a MICHIGAN TECHNOLOGICAL UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GENERALIZED ENSEMBLE TECHNIQUE; INTRAMOLECULAR FORCES;

ALGORITHMS; AMINO ACIDS; ANNEALING; COMPUTER SIMULATION; CONFORMATIONS; CRYSTAL STRUCTURE; ENTROPY; FREE ENERGY; HYDROGEN BONDS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC SOLVENTS; POLYPEPTIDES; SPECIFIC HEAT; SUPERCONDUCTING TRANSITION TEMPERATURE;

HORMONES;

PARATHYROID HORMONE[1-34];

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; HUMAN; PROTEIN CONFORMATION; THERMODYNAMICS;

HUMANS; MODELS, MOLECULAR; PROTEIN CONFORMATION; TERIPARATIDE; THERMODYNAMICS;

EID: 0942277678     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1630563     Document Type: Article

References (30)

1. P. Ferrara and A. Caflisch, Proc. Natl. Acad. Sci. U.S.A. 97, 10780 (2000).
2. Y. Duan and P. A. Kollman, Science 282, 740 (1998).
3. Sh. Chowdhury, W. Zhang, Ch. Wu, G. Xiong, and Y. Duan, Biopolymers 68, 63 (2003).
4. U. H. E. Hansmann and Y. Okamoto, Curr. Opin. Struct. Biol. 9, 177 (1999).
5. C. L. Brooks, Acc. Chem. Res. 35, 447 (2002).
6. A. E. Cardenas and R. Elber, Proteins: Struct., Funct., Genet. 51, 245 (2003).
7. U. H. E. Hansmann, Chem. Phys. Lett. 281, 140 (1997).
8. A. E. Garcia and K. Y. Sabonmatsu, Proteins: Struct., Funct., Genet. 42, 345 (2001).
9. C.-Y. Lin, C.-K. Hu, and U. H. E. Hansmann, Proteins: Struct., Funct., Genet. 52, 436 (2003).
10. F. Rao and A. Caflisch, J. Chem. Phys. 119, 4035 (2003).
11. U. H. E. Hansmann and Y. Okamoto, in Annual Reviews in Computational Physics VI, edited by D. Stauffer (World Scientific, Singapore, 1998), p. 129.
12. B. A. Berg and T. Neuhaus, Phys. Lett. B 267, 249 (1991).
13. U. H. E. Hansmann and Y. Okamoto, J. Comput. Chem. 14, 1333 (1993).
14. U. H. E. Hansmann and Y. Okamoto, J. Phys. Chem. 102, 653 (1998).
15. N. A. Alves and U. H. E. Hansmann, J. Chem. Phys. 117, 2337 (2002).
16. W. Klaus, T. Dieckmann, V. Wray, D. Schomburg, E. Wingender, and H. Mayer, Biochemistry 30, 6936 (1991).
17. L. Jin, S. L. Briggs, S. Chandrasekhar, N. Y. Chirgadze, D. K. Clawson, R. W. Schevitz, D. L. Smiley, A. H. Tashjian, and F. Zhang, J. Biol. Chem. 275, 27238 (2000).
18. U. C. Marx, K. Adermann, P. Bayer, W.-G. Forssmann, and P. Rösch, Biochem. Biophys. Res. Commun. 267, 213 (2000).
19. J. T. Potts, Jr., H. M. Kronenberg, and M. Rosenblatt. Adv. Protein Chem. 35, 323 (1982).
20. R. Brommage, C. E. Hotchkiss, C. J. Lees, M. W. Stancill, J. M. Hock, and C. P. Jerome, J. Clin. Endocrinol. Metab. 84, 3757 (1999).
21. Y. Okamoto, T. Kikuchi, T. Nakazawa, and H. Kawai, Int. J. Pept. Protein Res. 42, 300 (1993).
22. G. Némethy, K. D. Gibson, K. A. Palmer, C.-N. Yoon, G. Paterlini, A. Zagari, S. Rumsey, and H. A. Scheraga, J. Phys. Chem. 96, 6472 (1992).
23. T. Ooi, M. Obatake, G. Nemethy, and H. A. Scheraga, Proc. Natl. Acad. Sci. U.S.A. 8, 3086 (1987).
24. F. Eisenmenger, U. H. E. Hansmann, Sh. Hayryan, and C.-K. Hu, Comput. Phys. Commun. 138, 192 (2001).
25. A. M. Ferrenberg and R. H. Swendsen, Phys. Rev. Lett. 61, 2635 (1988); 63, 1658(E) (1989), and references given in the erratum.
26. A. M. Ferrenberg and R. H. Swendsen, Phys. Rev. Lett. 61, 2635 (1988); 63, 1658(E) (1989), and references given in the erratum.
27. U. H. E. Hansmann, Phys. Rev. E 56, 6200 (1997).
28. F. Eisenhaber, P. Lijnzaad, P. Argos, C. Sander, and M. Scharf, J. Comput. Chem. 16, 273 (1995).
29. T. Schaumann, W. Braun, and K. Wuthrich, Biopolymers 29, 679 (1990).
30. U. H. E. Hansmann and L. Wille, Phys. Rev. Lett. 88, 068105 (2002).