We utilize QM/MM methodology with different size QM regions to elucidate the spectral fingerprint of the pentagonal water cluster in Bacteriorhodopsin. This work was supported by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences program. The Pacific Northwest National Laboratory is operated by Battelle for DOE.
Revised: April 7, 2011 |
Published: December 22, 2008
Citation
Baer M., G. Mathias, I.W. Kuo, D.J. Tobias, C.J. Mundy, and D. Marx. 2008.Spectral Signatures of the Pentagonal Water Cluster in Bacteriorhodopsin.ChemPhysChem 9, no. 18:2703-2707.PNNL-SA-62004.