MD Simulations of Carbonmonoxy Myoglobin and Calculations of Heme CD
作者： Yan Qiu , Robert W. Woody , Yi Lu , Narasimha Sreerama , Christoph Kiefl
DOI:
关键词:
摘要:
osti.gov参考文章(15)
W R Light, R J Rohlfs, G Palmer, J S Olson, Functional effects of heme orientational disorder in sperm whale myoglobin. Journal of Biological Chemistry. ,vol. 262, pp. 46- 52 ,(1987) , 10.1016/S0021-9258(19)75885-2
Gerd N. La Mar, N.L. Davis, Daniel W. Parish, Kevin M. Smith, Heme orientational disorder in reconstituted and native sperm whale myoglobin. Proton nuclear magnetic resonance characterizations by heme methyl deuterium labeling in the Met-cyano protein. Journal of Molecular Biology. ,vol. 168, pp. 887- 896 ,(1983) , 10.1016/S0022-2836(83)80080-1
Charles Weiss, Hiroshi Kobayashi, Martin Gouterman, Spectra of porphyrins: Part III. Self-consistent molecular orbital calculations of porphyrin and related ring systems Journal of Molecular Spectroscopy. ,vol. 16, pp. 415- 450 ,(1965) , 10.1016/0022-2852(65)90132-3
Gerd N. La Mar, Hiroo Toi, R. Krishnamoorthi, Proton NMR investigation of the rate and mechanism of heme rotation in sperm whale myoglobin: evidence for intramolecular reorientation about a heme two-fold axis Journal of the American Chemical Society. ,vol. 106, pp. 6395- 6401 ,(1984) , 10.1021/JA00333A050
S. Kirkpatrick, C. D. Gelatt, M. P. Vecchi, Optimization by Simulated Annealing Science. ,vol. 220, pp. 671- 680 ,(1983) , 10.1126/SCIENCE.220.4598.671
Helmut Formanek, Jürgen Engel, Optical rotatory dispersion of a respiratory hemeprotein of Chrinomus thummi Biochimica et Biophysica Acta (BBA) - Protein Structure. ,vol. 160, pp. 151- 158 ,(1968) , 10.1016/0005-2795(68)90081-0
Robert W. Woody, Ming-Chu Hsu, The origin of the heme Cotton effects in myoglobin and hemoglobin. Journal of the American Chemical Society. ,vol. 93, pp. 3515- 3525 ,(1971) , 10.1021/JA00743A036
Gordon W. Bushnell, Gordon V. Louie, Gary D. Brayer, High-resolution three-dimensional structure of horse heart cytochrome c. Journal of Molecular Biology. ,vol. 214, pp. 585- 595 ,(1990) , 10.1016/0022-2836(90)90200-6
Walter Jentzen, Xing-Zhi Song, John A. Shelnutt, Structural characterization of synthetic and protein-bound porphyrins in terms of the lowest-frequency normal coordinates of the macrocycle Journal of Physical Chemistry B. ,vol. 101, pp. 1684- 1699 ,(1997) , 10.1021/JP963142H
T. Jue, R. Krishnamoorthi, Gerd N. La Mar, Proton NMR study of the mechanism of the heme-apoprotein reaction for myoglobin Journal of the American Chemical Society. ,vol. 105, pp. 5701- 5703 ,(1983) , 10.1021/JA00355A036