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Comparison of dCOM and dFeFe for the hits from the four BD simulations and superpositions of starting geometries with dFeFe = 15, 21, 32Å. Red symbols, meso-C simulation with Mb(3M); blue symbols, meso-C simulation with Mb(wt); purple symbols, COM simulation with Mb(3M); cyan symbols, COM simulation with Mb(wt).
