Free Energy of Cofactors at the Quinone-QA Site of the Photosynthetic Reaction 
Center of Rhodobacter sphaeroides Calculated by Minimizing the Statistical Error

Muegge, I.; Ermler, Ulrich; Fritzsch, Günter; Knapp, E. W.

doi:10.1021/j100051a017

Item

ITEM ACTIONSEXPORT

Add to Basket

Local TagsRelease HistoryDetailsSummary

Released

Journal Article

Free Energy of Cofactors at the Quinone-Q_A Site of the Photosynthetic Reaction Center of Rhodobacter sphaeroides Calculated by Minimizing the Statistical Error

MPS-Authors

/persons/resource/persons137648

Ermler, Ulrich
Department of Molecular Membrane Biology, Max Planck Institute of Biophysics, Max Planck Society;

/persons/resource/persons137659

Fritzsch, Günter
Department of Molecular Membrane Biology, Max Planck Institute of Biophysics, Max Planck Society;

External Resource

No external resources are shared

Fulltext (restricted access)

There are currently no full texts shared for your IP range.

Fulltext (public)

There are no public fulltexts stored in PuRe

Supplementary Material (public)

There is no public supplementary material available

Citation

Muegge, I., Ermler, U., Fritzsch, G., & Knapp, E. W. (1995). Free Energy of Cofactors at the Quinone-Q_A Site of the Photosynthetic Reaction Center of Rhodobacter sphaeroides Calculated by Minimizing the Statistical Error. The Journal of Physical Chemistry, 99(51), 17917-17925. doi:10.1021/j100051a017.

Cite as: https://hdl.handle.net/21.11116/0000-0007-6EBC-B

Abstract

The free energy difference of the binding of benzoquinones and naphthoquinones at the Q_A site of the photosynthetic reaction center from Rhodobacter sphaeroides immersed in water and hexane is calculated and compared with experimental values. The water-to-hexane solvent-transfer free energies are also calculated. An improved thermodynamic perturbation technique with double-wide sampling is employed which takes the asymmetry of the distribution of data into account and minimizes the statistical error by using optimal midpoints. Dependencies on different atomic partial charges and different degrees of solvation are discussed.