Proton Transfer in Bacteriorhodopsin: Structure, Excitation, IR Spectra, and Potential Energy Surface Analyses by an ab Initio QM/MM Method
- 21 October 2000
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 104 (45) , 10678-10691
- https://doi.org/10.1021/jp001508r
Abstract
No abstract availableKeywords
This publication has 80 references indexed in Scilit:
- Structure of bacteriorhodopsin at 1.55 Å resolutionJournal of Molecular Biology, 1999
- Protein conformational changes in the bacteriorhodopsin photocycleJournal of Molecular Biology, 1999
- Theoretical Study for Autoionization of Liquid Water: Temperature Dependence of the Ionic Product (pKw)The Journal of Physical Chemistry A, 1998
- Electron-crystallographic Refinement of the Structure of BacteriorhodopsinJournal of Molecular Biology, 1996
- Molecular Dynamics Study of the Early Intermediates in the Bacteriorhodopsin PhotocycleThe Journal of Physical Chemistry, 1995
- Proton translocation mechanism and energetics in the light-driven pump bacteriorhodopsinBiochimica et Biophysica Acta (BBA) - Bioenergetics, 1993
- A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP modelThe Journal of Physical Chemistry, 1993
- Ab initio study on the excitation energies of the protonated Schiff base of 11-cis-retinalThe Journal of Physical Chemistry, 1990
- The quantum yield of bacteriorhodopsinFEBS Letters, 1990
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983