Sub-THz specific relaxation times of hydrogen bond oscillations in E.coli thioredoxin. Molecular dynamics and statistical analysis

Faraday Discussions

Volumn 171, Issue , 2014, Pages 179-193

  Globus, Tatiana ^a,b   Sizov, Igor ^a,b   Gelmont, Boris ^a,b  

^a University of Virginia   (United States)

^b Vibratess LLC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

THIOREDOXIN;

CHEMISTRY; ESCHERICHIA COLI; HYDROGEN BOND; MOLECULAR DYNAMICS;

ESCHERICHIA COLI; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; THIOREDOXINS;

EID: 84911997652     PISSN: 13596640     EISSN: 13645498     Source Type: Journal    
DOI: 10.1039/c4fd00029c     Document Type: Article

References (25)

1. D. F. Plusquellic and E. J. Heilweil, Terahertz Spectroscopy of Biomolecules, in: THz Specrtoscopy: Principles and Applications, Book CRC Press, 2007, pp. 269-297.
2. W. Zhang, E. R. Brown, M. Rahman and M. L. Norton, Appl. Phys. Lett., 2013, 102(2), 023701-023701.
3. T. Globus, T. Dorofeeva, I. Sizov, B. Gelmont, M. Lvovska, T. Khromova, O. Chertihin and Y. Koryakina, American Journal of Biomedical Engineering, 2012, 2(4), 143-154.
4. T. Globus, A. M. Moyer, B. Gelmont, T. Khromova, M. I. Lvovska, I. Sizov and J. Ferrance, IEEE Sens. J., 2013, 13(1), 72-79.
5. T. Globus, I. Sizov and B. Gelmont, Adv. Biosci. Biotechnol., 2013, 4(3A), 493-503.
6. I. Sizov, M. Rahman, B. Gelmont, M. L. Norton and T. Globus, Chem. Phys., 2013, 425, 121-125.
7. T. Li, A. A. Hassanali, Y.-T. Kao, D. Zhong and S. J. Singer, J. Am. Chem. Soc., 2007, 129(11), 3376-3382.
8. K. E. Furse and S. A. Corcelli, J. Phys. Chem. Lett. , 2010, 1(12), 1813-1820.
9. W. Qiu, L. Wang, W. Lu, A. Boechler, D. A. R. Sanders and D. Zhong, Proc. Natl. Acad. Sci. U. S. A., 2007, 104(13), 5366-5371.
10. K. Moritsugu and J. C. Smith, J. Phys. Chem. B, 2005, 109(24), 12182-12194.
11. J. Smith, T. Becker, S. Fischer, F. Noé, A. Tournier, G. Ullmann and V. Kurkal, Physical and Functional Aspects of Protein Dynamics, in: Soft Condensed Matter Physics in Molecular and Cell Biology, Taylor & Francis, 2006, pp. 225-241.
12. N. Q. Vinh, S. J. Allen and K. W. Plaxco, J. Am. Chem. Soc., 2011, 133(23), 8942-8947.
13. E. Balog, J. C. Smith and D. Perahia, Phys. Chem. Chem. Phys., 2006, 8(47), 5543-5548.
14. H. Frauenfelder, B. H. McMahon, R. H. Austin, K. Chu and J. T. Groves, Proc. Natl. Acad. Sci. U. S. A., 2001, 98(5), 2370-2374.
15. S. Cusack and W. Doster, Biophys. J., 1990, 58(1), 243-251.
16. M. D. Ediger, Annu. Rev. Phys. Chem., 2000, 51, 99-128.
17. A. A. Golosov and M. Karplus, J. Phys. Chem. B, 2007, 111(6), 1482-1490.
18. N. Alijabbari, Y. Chen, I. Sizov, T. Globus and B. Gelmont, J. Mol. Model., 2012, 18(5), 2209-2218.
19. M. Karplus and J. N. Kushick, Macromolecules, 1981, 14(2), 325-332.
20. R. M. Levy, M. Karplus, J. Kushick and D. Perahia, Macromolecules, 1984, 17(7), 1370-1374.
21. T. Globus, D. Woolard, M. Bykhovskaia, B. Gelmont, L. Werbos and A. Samuels, Int. J. High Speed Electron. Syst., 2003, 13(04), 903-936.
22. E. F. Pettersen, T. D. Goddard, C. C. Huang, G. S. Couch, D. M. Greenblatt, E. C. Meng and T. E. Ferrin, J. Comput. Chem., 2004, 25(13), 1605-1612.
23. http://www.mathworks.com/matlabcentral/fileexchange/12377-interactive-fourier-filter-version-1-5/content/FourierFilter15/FouFilter.m.
24. R. M. Daniel, R. V. Dunn, J. L. Finney and J. C. Smith, Annu. Rev. Biophys. Biomol. Struct., 2003, 32(1), 69-92.
25. T. Globus, A. Moyer, B. Gelmont, I. Sizov and T. Khromova, Dissipation Time in Molecular Dynamics and Discriminative Capability of Sub-THz Spectroscopic Characterization of Biological Molecules and Cells, Chemical and Biological Defense Science and Technology Conference, DTRA, Las Vegas, Nov. 2011.