Computational approaches in modeling spectra of biological chromophores

Progress in Biomedical Optics and Imaging - Proceedings of SPIE

Volumn 6868, Issue , 2008, Pages

  Nemukhin, Alexander V ^a,b   Grigorenko, Bella L ^a   Bochenkova, Anastasia V ^a   Bravaya, Ksenia B ^a   Savitsky, Alexander P ^c  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b EMANUEL INSTITUTE OF BIOCHEMICAL PHYSICS   (Russian Federation)

^c BACH INSTITUTE OF BIOCHEMISTRY   (Russian Federation)

Author keywords

Biological chromophores; Molecular modeling; Optical spectra; QM MM; Quantum chemistry

Indexed keywords

COMPUTATIONAL METHODS; GASES; OPTICAL IMAGE STORAGE;

ACCURATE MEASUREMENTS; BIOLOGICAL CHROMOPHORES; GAS PHASE; HIGH ACCURACY; MODELING SPECTRA; OPTICAL IMAGING; OPTICAL SPECTRUM; SMALL ANIMALS; SPECTRAL PROPERTIES; WHOLE BODY (WB);

CHROMOPHORES;

EID: 42149169067     PISSN: 16057422     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1117/12.760952     Document Type: Conference Paper

References (17)

1. M.A. van der Horst and K. J. Hellingwerf, Acc. Chem. Res. 37, 13-20 (2004).
2. L.S.B.H. Andersen, I.B. Neilsen, M.B. Kristesen, M.O.A. El Ghazaly, S. Haacke, M. Brondsted Nielsen and M.A. Petersen, J. Amer. Chem. Soc. 127, 12347 (2005).
3. I.B. Nielsen, L. Lammich and L.H. Andersen, Phys. Rev. Lett. 96, 018304 (2006).
4. I.B. Neilsen, S. Boye-Peronne, M.O.A. El Ghazaly, M.B. Kristesen, M. Brondsted Nielsen and L.H. Andersen, Biophys. J. 89, 2597 (2005).
5. I.H. Andersen, A. Lapierre, S.B. Neilsen, I.B. Neilsen, S.U. Petersen, U.V. Petersen and S. Tomita, Eur. Phys. J. D, 20, 597 (2002).
6. L. Kessel, I.B. Nielsen, A. Bochenkova, K. Bravaya and L.H. Andersen, J. Phys. Chem. A, 111, 10537 (2007).
7. A. Cembran, R. Gonzales-Luque, P. Altoe, M. Merchan, F. Bernardi, M. Olivucci and M. Garavelli, J. Phys. Chem. A, 109, 6597 (2005).
8. H. Nakano, J. Chem. Phys., 99, 7983 (1993).
9. A. Granovsky, http://lcc.chem.msu.ru/gran/gamess/index.html
10. M.W. Schmidt, K.K. Baldridge, I.A. Boatz, S.T. Elbert, M.S. Gordon, I.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis and I.A. Montgomery, J. Comput. Chem., 14, 1347 (1993).
11. A. WarshelandM. Levitt, J.Mol.Biol., 103, 227 (1976).
12. B.L. Grigorenko, A.V. Nemukhin, I.A. Topol and S.K. Burt, J. Phys. Chem. A, 106, 10663 (2002).
13. M.S. Gordon, M.A. Freitag, P. Bandyopadhyay, I.H. Jensen, V. Kairys and W.J. Stevens, J. Phys. Chem. A 105, 293 (2001).
14. D. Bakowies and W. Thiel, J. Phys. Chem., 100, 10580 (1996).
15. K. Bravaya, A. Bochenkova, A. Granovsky and A. Nemukhin, J. Amer. Chem. Soc., 129, 13035 (2007).
16. B. Grigorenko, A. Savitsky, I. Topol I., S. Burt and A. Nemukhin, J. Phys. Chem. B, 110, 19635 (2006).
17. A. Jung, T. Domratcheva, M. Tarutina, Q. Wu, W.H. Ko, R.L. Shoeman, M. Gomelsky, K.H. Gardner and I. Schlichting, Proc. Natl. Acad. Sci. USA, 102, 12350 (2005).