Reaction control in bacteriorhodopsin: Impact of Arg82 and Asp85 on the fast retinal isomerization, studied in the second site revertant Arg82Ala/Gly231Cys and various purple and blue forms of bacteriorhodopsin
Article Abstract:
The effects of Arg82 and Asp85 on fast retinal isomerization were examined.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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Electrostatic protein-chromophore interactions promote the all-trans vector 13-cis isomerization of the protonated retinal Schiff base in bacteriorhodopsin: An ab initio CASSCF/MRCI study
Article Abstract:
Ab initio calculations of the potential energy surfaces of the states S(sub 0), S(sub 1) an S(sub 2) of protonated Schiff base model molecules containing three, four and five conjugated double bonds are carried out. The results suggest that an efficient decay into the electronic ground state during all-trans --> 13-cis isomeraization is only possible due to the interaction of the protonated Schiff base with counterion
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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Tuning of retinal twisting in bacteriorhodopsin controls the directionality of the early photocycle steps
Article Abstract:
Quantum mechanical/molecular mechanical (QM/MM) reaction-path calculations were used for examining the protein photocycle. The barrier for the thermal cis-trans back-isomerization is lowered by retinal twisting and the rate-limiting barrier for back-isomerization is 5-6 kcal/mol larger than the barrier for the first proton-transfer step.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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