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. Author manuscript; available in PMC: 2013 Aug 14.
Published in final edited form as: Phys Chem Chem Phys. 2012 Jun 28;14(30):10466–10476. doi: 10.1039/c2cp41196b

Fig. 4.

Fig. 4

Comparison of calculated and experimental results for the changes in hirudin-thrombin association rate constants for 62 mutants. The experimental data are from Stone et al.32 and Myles et al.34 The calculated results are from applying TransComp to the binding of the hirudin C-terminal fragment (residues 54-65) to thrombin.