Zwier, T. S. The structure of protonated water clusters. Science304, 1119–1120 (2004) ArticleCASADS Google Scholar
Headrick, J. M. et al. Spectral signatures of hydrated proton vibrations in water clusters. Science308, 1765–1769 (2005) ArticleCASADS Google Scholar
Marx, D., Tuckerman, M. E., Hutter, J. & Parrinello, M. The nature of the hydrated excess proton in water. Nature397, 601–604 (1999) ArticleCASADS Google Scholar
Kötting, C. & Gerwert, K. Proteins in action monitored by time-resolved FTIR spectroscopy. Chem. Phys. Chem.6, 881–888 (2005) Article Google Scholar
Garczarek, F., Brown, L. S., Lanyi, J. K. & Gerwert, K. Proton binding within a membrane protein by a protonated water cluster. Proc. Natl Acad. Sci. USA102, 3633–3638 (2005) ArticleCASADS Google Scholar
de Grotthuss, C. J. T. Sur la décomposition de l'eau et des corps quélletient en dissolution à l'aide de l'électricité galvanique. Ann. Chim.58, 54–74 (1806) Google Scholar
Eigen, M. Proton transfer, acid-base catalysis, and enzymatic hydrolysis. Part I: Elementary processes. Angew. Chem. Int. Edn Engl.3, 1–19 (1964) Article Google Scholar
Zundel, G. in The Hydrogen Bond—Recent Developments in Theory and Experiments (ed. Sandorfy, C.) 683–766 (Nort-Holland, Amsterdam, 1976) Google Scholar
Birge, R. R. et al. Revised assignment of energy storage in the primary photochemical event in bacteriorhodopsin. J. Am. Chem. Soc.113, 4327–4328 (1991) ArticleCAS Google Scholar
Gerwert, K., Hess, B., Soppa, J. & Oesterhelt, D. Role of aspartate-96 in proton translocation by bacteriorhodopsin. Proc. Natl Acad. Sci. USA86, 4943–4947 (1989) ArticleCASADS Google Scholar
Luecke, H., Schobert, B., Richter, H. T., Cartailler, J. P. & Lanyi, J. K. Structure of bacteriorhodopsin at 1.55 Å resolution. J. Mol. Biol.291, 899–911 (1999) ArticleCAS Google Scholar
Kandt, C., Schlitter, J. & Gerwert, K. Dynamics of water molecules in the bacteriorhodopsin trimer in explicit lipid/water environment. Biophys. J.86, 705–717 (2004) ArticleCASADS Google Scholar
Rammelsberg, R., Huhn, G., Lubben, M. & Gerwert, K. Bacteriorhodopsins intramolecular proton-release pathway consists of a hydrogen-bonded network. Biochemistry37, 5001–5009 (1998) ArticleCAS Google Scholar
Dioumaev, A. K. et al. Existence of a proton transfer chain in bacteriorhodopsin: participation of Glu-194 in the release of protons to the extracellular surface. Biochemistry37, 2496–2506 (1998) ArticleCAS Google Scholar
Shibata, M. & Kandori, H. FTIR studies of internal water molecules in the Schiff base region of bacteriorhodopsin. Biochemistry44, 7406–7413 (2005) ArticleCAS Google Scholar
Hayashi, S. & Ohmine, I. Proton transfer in bacteriorhodopsin: Structure, excitation, IR spectra, and potential energy surface analyses by an ab initio QM/MM method. J. Phys. Chem. B104, 10678–10691 (2000) ArticleCAS Google Scholar
Liu, K., Brown, M. G., Cruzan, J. D. & Saykally, R. J. Vibration-rotation tunneling spectra of the water pentamer: Structure and dynamics. Science271, 62–64 (1996) ArticleCASADS Google Scholar
Dencher, N. A., Sass, H. J., Buldt, G. Water and bacteriorhodopsin: structure, dynamics, and function. Biochim. Biophys. Acta1460, 192–203 (2000) ArticleCAS Google Scholar
Grudinin, S., Buldt, G., Gordeliy, V. & Baumgaertner, A. Water molecules and hydrogen-bonded networks in bacteriorhodopsin—molecular dynamics simulations of the ground state and the M intermediate. Biophys. J.88, 3252–3261 (2005) ArticleCAS Google Scholar
Le Coutre, J., Tittor, J., Oesterhelt, D. & Gerwert, K. Experimental evidence for hydrogen-bonded network proton transfer in bacteriorhodopsin shown by Fourier-transform infrared spectroscopy using azide as catalyst. Proc. Natl Acad. Sci. USA92, 4962–4966 (1995) ArticleCASADS Google Scholar
Garczarek, F., Wang, J., El-Sayed, M. A. & Gerwert, K. The assignment of the different infrared continuum absorbance changes observed in the 3000–1800 cm-1 region during the bacteriorhodopsin photocycle. Biophys. J.87, 2676–2682 (2004) ArticleCASADS Google Scholar
Hayashi, S., Tajkhorshid, E., Kandori, H. & Schulten, K. Role of hydrogen-bond network in energy storage of bacteriorhodopsin's light-driven proton pump revealed by ab initio normal-mode analysis. J. Am. Chem. Soc.126, 10516–10517 (2004) ArticleCAS Google Scholar
Tanimoto, T., Furutani, Y. & Kandori, H. Structural changes of water in the Schiff base region of bacteriorhodopsin: proposal of a hydration switch models. Biochemistry42, 2300–2306 (2003) ArticleCAS Google Scholar
Rozenberg, M., Loewenschuss, A. & Marcus, Y. An empirical correlation between stretching vibration redshift and hydrogen bond length. Phys. Chem. Chem. Phys.2, 2699–2702 (2000) ArticleCAS Google Scholar
Rousseau, R., Kleinschmidt, V., Schmitt, U. W. & Marx, D. Unravelling water network protonation patterns in bacteriorhodopsin by theoretical IR spectroscopy. Angew. Chem. Int. Edn Engl.43, 4804–4807 (2004) ArticleCAS Google Scholar
Spassov, V. Z., Luecke, H., Gerwert, K. & Bashford, D. p_K_a calculations suggest storage of an excess proton in a hydrogen-bonded water network in bacteriorhodopsin. J. Mol. Biol.312, 203–219 (2001) ArticleCAS Google Scholar
Luecke, H., Schobert, B., Richter, H. T., Cartailler, J. P. & Lanyi, J. K. Structural changes in bacteriorhodopsin during ion transport at 2 Å resolution. Science286, 255–260 (1999) ArticleCAS Google Scholar
Koradi, R., Billeter, M. & Wüthrich, K. MOLMOL: a program for display and analysis of macromolecular structures. J. Mol. Graph.14, 51–55 (1996) ArticleCAS Google Scholar