Matthew J. Cliff, Mark A. Williams, David Barford, John E. Ladbury (2005). Molecular recognition via coupled folding and binding in a TPR domain. J. Mol. Biol. 346, 717-32.

Uncoupler

Analysis of coupled folding and binding

Software developed in Mathematica for the analysis of the thermodynamics of coupled folding-binding in protein-ligand recognition. The approach requires temperature-dependent data from both CD and ITC. The global fitting procedure allows the deconvolution of the thermodynamics of the intrinsic folding and binding events. This is an implementation of the methodology described in Cliff et al. (2005). This version revised for Mathematica 7. Example ouput can be found here.

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The Mathematica package and notebook . Please contact me if there are any problems with these files.