电邮这篇文章 Quantum-chemical study of coelenterazine withthe account of environment and electronic correlations
- 作者: Antipina L.Y.1, Ovchinnikov S.G.1, Antipina LY.1, Ovchinnikov SG1
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- 期: 卷 12, 编号 2 (2011)
- 页面: 4-7
- 栏目: Articles
- URL: https://journals.eco-vector.com/2712-8970/article/view/505628
- ID: 505628
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Electronic structure and total energy of various isomeric forms of coelenterazine has been calculated by methods
of quantum chemistry both in one-electronic approach, and with correlation effects. It is shown that the account
of electronic correlations allows choosing structure of coelenterazine CLZ (1H) as most probable of possible isomeric
forms.
of quantum chemistry both in one-electronic approach, and with correlation effects. It is shown that the account
of electronic correlations allows choosing structure of coelenterazine CLZ (1H) as most probable of possible isomeric
forms.
作者简介
Lyubov' Antipina
Email: antipinalyu@gmail.com
Sergey Ovchinnikov
Email: sgo@iph.krasn.ru
L Antipina
S Ovchinnikov
参考
- Crystal structure of coelenterazine-binding protein from Renilla Muelleri at 1.7 Å: Why it is not a calciumregulated photoprotein / G. A. Stepanyuk, Z.-J. Liu, S. S. Markova et al. // Photochem. Photobiol. Sci. 2008. Vol. 7. P. 442-447.
- Structure of the Ca2+-regulated photoprotein obelin at 1.7 Å resolution determined directly from its sulfur substructure / Z.-J. Liu, E. S. Vysotski, C.-J. Chen et al. // Protein Sci. 2000. Vol. 9. P. 2085-2093.
- The crystal structure of the photoprotein aequorin at 2.3 Å resolution / J. F. Head, S. Inouye, K. Teranishi, O. Shimomura // Nature. 2000. Vol. 405. P. 372-376.
- Аврамов П. В., Овчинников С. Г. Квантово- химическое и молекулярно-динамическое моделирование структуры и свойств углеродных наноструктур : мультимедийное изд. Новосибирск : Изд-во СО РАН, 2000.
- Stewart J. J. P. Optimization of parameters for semiempirical methods I // J. Comp. Chem. 1991. Vol. 10. № 2. P. 209-220.
- Stewart J. J. P. Optimization of parameters for semiempirical methods II // J. Comp. Chem. 1991. Vol. 10. № 2. P. 221-264.
- Stewart J. J. P. Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation // J. Comp. Chem. 2004. Vol. 10. P. 6-12.
- Stuart J. J. P. Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements // J. Mol. Model. 2007. Vol. 13. P. 1172-1213.
- Shimomura O. Bioluminescence. Chemical Principles and Methods. World Scientific Publishing Co. Pte. Ltd., 2006.
- Shimomura O. The discovery of aequorin and green fluorescent protein // J. of Microscopy. 2005. Vol. 217. P. 3-15.
- Renilla luciferin as the substrate for calcium induced photoprotein bioluminescence. Assignment of luciferin tautomers in aequorin and mnemiopsin / K. Hori, J. M. Anderson, W. W. Ward, M. J. Cormier // Biochemistry. 1975. Vol. 14. № 11. P. 2371-2376.
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