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  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, U., Fritzsch, G., & Knapp, E. W. (1995). Free Energy of Cofactors at the Quinone-QA 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.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0007-6EBC-B Version Permalink: https://hdl.handle.net/21.11116/0000-000B-A861-A
Genre: Journal Article

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 Creators:
Muegge, I.1, Author
Ermler, Ulrich2, Author                 
Fritzsch, Günter2, Author           
Knapp, E. W.1, Author
Affiliations:
1Freie Universität Berlin, Fachbereich Chemie, Institut für Kristallographie, 14195 Berlin, Germany , ou_persistent22              
2Department of Molecular Membrane Biology, Max Planck Institute of Biophysics, Max Planck Society, ou_2068290              

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 Abstract: The free energy difference of the binding of benzoquinones and naphthoquinones at the QA 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.

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Language(s): eng - English
 Dates: 1995-02-281994-12-012002-05-011995
 Publication Status: Issued
 Pages: 9
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/j100051a017
 Degree: -

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Title: The Journal of Physical Chemistry
  Abbreviation : J. Phys. Chem.
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 99 (51) Sequence Number: - Start / End Page: 17917 - 17925 Identifier: ISSN: 1932-7447
CoNE: https://pure.mpg.de/cone/journals/resource/954926947766_3