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Fe2-S2-pqr-files.tgz -- PQR-File of the protein used to derived and test the redox potential of a virtual model com,pound for [Fe2S2]-Cys4 clusters in proteins Fe2-S2-re-refined-structures.tgz -- re-refined structures of several PDB-files of [Fe2S2]-Cys4-proteins together with the new electron density (in mtz-format). The structures are named using the PDB-code of the original structures. A detailed description of the work is given in Rajeev Ranjan Roy and G. Matthias Ullmann: Virtual Model Compound Approach for Calculating Redox Potentials of [Fe2 S2 ]-Cys4 Centers in Proteins – Structure Quality Matters. submitted
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