Publications: Retinal Proteins
| 482. Photochemical reaction dynamics of the primary event of vision studied by a hybrid molecular simulation. Shigehiko Hayashi, Emad Tajkhorshid, and Klaus Schulten. Biophysical Journal, 2008. In press. |
| 470. Mechanism of signal propagation upon retinal isomerization: Insights from molecular dynamics simulations of rhodopsin restrained by normal modes. Basak Isin, Klaus Schulten, Emad Tajkhorshid, and Ivet Bahar. Biophysical Journal, 95:789-803, 2008. |
| 421. Color tuning in rhodopsins: the mechanism for the spectral shift between bacteriorhodopsin and sensory rhodopsin II. Michael Hoffmann, Marius Wanko, Paul Strodel, Peter H. Koenig, Thomas Frauenheim, Klaus Schulten, Walter Thiel, Emad Tajkhorshid, and Marcus Elstner. Journal of the American Chemical Society, 128:10808-10818, 2006. |
| 365. Complementarities and convergence of results in bacteriorhodopsin trimer simulations. Jerome Baudry, Emad Tajkhorshid, and Klaus Schulten. Biophysical Journal, 87:1394-1395, 2004. |
| 341. Molecular dynamics simulation of bacteriorhodopsin's photoisomerization using ab initio forces for the excited chromophore. Shigehiko Hayashi, Emad Tajkhorshid, and Klaus Schulten. Biophysical Journal, 85:1440-1449, 2003. |
| 333. Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin. Jan Saam, Emad Tajkhorshid, Shigehiko Hayashi, and Klaus Schulten. Biophysical Journal, 83:3097-3112, 2002. |
| 325. Structural changes during the formation of early intermediates in the bacteriorhodopsin photocycle. Shigehiko Hayashi, Emad Tajkhorshid, and Klaus Schulten. Biophysical Journal, 83:1281-1297, 2002. |
| 321. The role of intersection topography in bond selectivity of cis-trans photoisomerization. Michal Ben-Nun, Ferenc Molnar, Klaus Schulten, and Todd J. Martinez. Proceedings of the National Academy of Sciences, USA, 99:1769-1773, 2002. |
| 312. Structural determinants of spectral tuning in retinal proteins - bacteriorhodopsin vs sensory rhodopsin II. Shigehiko Hayashi, Emad Tajkhorshid, Eva Pebay-Peyroula, Antoine Royant, Ehud M. Landau, Javier Navarro, and Klaus Schulten. Journal of Physical Chemistry B, 105:10124-10131, 2001. |
| 302. Molecular dynamics study of bacteriorhodopsin and the purple membrane. Jerome Baudry, Emad Tajkhorshid, Ferenc Molnar, James Phillips, and Klaus Schulten. Journal of Physical Chemistry B, 105:905-918, 2001. |
| 293. Characterization of a conical intersection between the ground and first excited state for a retinal analog. Ferenc Molnar, Michal Ben-Nun, Todd J. Martínez, and Klaus Schulten. Journal of Molecular Structure (THEOCHEM), WATOC special issue, 506:169-178, 2000. |
| 285. Molecular dynamics study of the nature and origin of retinal's twisted structure in bacteriorhodopsin. Emad Tajkhorshid, Jerome Baudry, Klaus Schulten, and Sandor Suhai. Biophysical Journal, 78:683-693, 2000. |
| 266. Three electronic state model of the primary phototransformation of bacteriorhodopsin. W. Humphrey, H. Lu, I. Logunov, H. J. Werner, and K. Schulten. Biophysical Journal, 75:1689-1699, 1998. |
| 250. Binding pathway of retinal to bacterio-opsin: A prediction by molecular dynamics simulations. Barry Isralewitz, Sergei Izrailev, and Klaus Schulten. Biophysical Journal, 73:2972-2979, 1997. |
| 234. Photoproducts of bacteriorhodopsin mutants: A molecular dynamics study. William Humphrey, Ernst Bamberg, and Klaus Schulten. Biophysical Journal, 72:1347-1356, 1997. |
| 228. Quantum chemistry - molecular dynamics study of the dark adaptation process in bacteriorhodopsin. Ilya Logunov and Klaus Schulten. Journal of the American Chemical Society, 118:9727-9735, 1996. |
| 218. Molecular dynamics study of early picosecond events in the bacteriorhodopsin photocycle: Dielectric response, vibrational cooling and the J, K intermediates. Dong Xu, Charles Martin, and Klaus Schulten. Biophysical Journal, 70:453-460, 1996. |
| 216. Molecular dynamics study of the M412 intermediate of bacteriorhodopsin. Dong Xu, Mordechai Sheves, and Klaus Schulten. Biophysical Journal, 69:2745-2760, 1995. |
| 213. Quantum chemistry of in situ retinal: Study of the spectral properties and dark adaptation of bacteriorhodopsin. Ilya Logunov and Klaus Schulten. In D. Bicout and M. J. Field, editors, Proceedings of the Ecole de Physique des Houches, pp. 235-256, Paris, 1995. Les Editions de Physique, Springer. |
| 211. Molecular dynamics study of the early intermediates in the bacteriorhodopsin photocycle. William Humphrey, Dong Xu, Mordechai Sheves, and Klaus Schulten. Journal of Physical Chemistry, 99:14549-14560, 1995. |
| 210. Molecular dynamics studies of bacteriorhodopsin's photocycles. Klaus Schulten, William Humphrey, Ilya Logunov, Mordechai Sheves, and Dong Xu. Israel Journal of Chemistry, 35:447-464, 1995. |
| 192. Molecular dynamics study of the 13-cis form (bR548) of bacteriorhodopsin and its photocycle. Ilya Logunov, William Humphrey, Klaus Schulten, and Mordechai Sheves. Biophysical Journal, 68:1270-1282, 1995. |
| 185. Molecular dynamics study of bacteriorhodopsin and artificial pigments. William Humphrey, Ilya Logunov, Klaus Schulten, and Mordechai Sheves. Biochemistry, 33:3668-3678, 1994. |
| 169. Molecular dynamics study of the proton pump cycle of bacteriorhodopsin. Feng Zhou, Andreas Windemuth, and Klaus Schulten. Biochemistry, 32:2291-2306, 1993. |
| 156. Structure of bacteriorhodopsin and in situ isomerization of retinal: A molecular dynamics study. Marco Nonella, Andreas Windemuth, and Klaus Schulten. Journal Photochemistry Photobiology, 54:937-948, 1991. |
| 124. Quantum chemical vibrational analysis of the chromophore of bacteriorhodopsin. Michael F. Grossjean, Paul Tavan, and Klaus Schulten. Journal of Physical Chemistry, 94:8059-8069, 1990. |
| 102. Can normal mode analysis reveal the geometry of the L550 chromophore of bacteriorhodopsin? Michael F. Grossjean, Paul Tavan, and Klaus Schulten. European Biophysics Journal, 16:341-349, 1989. |
| 67. Trans-cis isomerization of retinal and a mechanism for ion translocation in halorhodopsin. Dieter Oesterhelt, P. Hegemann, Paul Tavan, and Klaus Schulten. European Biophysics Journal, 14:123-129, 1986. |
| 64. Evidence for a 13,14-cis cycle in bacteriorhodopsin. Paul Tavan and Klaus Schulten. Biophysical Journal, 50:81-89, 1986. |
| 48. Substituents at the C13 position of retinal and their influence on the function of bacteriorhodopsin. Paul Tavan, Klaus Schulten, Wolfgang Gärtner, and Dieter Oesterhelt. Biophysical Journal, 47:349-356, 1985. |
| 46. The effect of protonation and electrical interactions on the stereochemistry of retinal Schiff bases. Paul Tavan, Klaus Schulten, and Dieter Oesterhelt. Biophysical Journal, 47:415-430, 1985. |
| 42. An isomerization model for the pump cycle of bacteriorhodopsin. Klaus Schulten, Zan Schulten, and Paul Tavan. In L. Bolis, E. J. M. Helmreich, and H. Passow, editors, Information and Energy Transduction in Biological Membranes, pp. 113-131. Allan R. Liss, Inc., New York, 1984. |
| 30. The spectra of carbonium ions, cyanine dyes, and protonated Schiff base polyenes. Klaus Schulten, Uri Dinur, and Barry Honig. Journal of Chemical Physics, 73:3927-3935, 1980. |
| 29. On the nature of excited electronic states in cyanine dyes: Implications for visual pigment spectra. Uri Dinur, Barry Honig, and Klaus Schulten. Chemical Physics Letters, 72:493-497, 1980. |
| 20. Coupling of stereochemistry and proton donor-acceptor properties of a Schiff base: A model of a light-driven proton pump. G. Orlandi and Klaus Schulten. Chemical Physics Letters, 64:370-374, 1979. |
| 18. An isomerization model for the photocycle of bacteriorhodopsin. Klaus Schulten. In S. R. Caplan and M. Ginzburg, editors, Energetics and Structure of Halophilic Organisms, pp. 331-334. Elsevier, 1978. |
| 13. A mechanism for the light-driven proton pump of Halobacterium halobium. Klaus Schulten and Paul Tavan. Nature, 272:85-86, 1978. |
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