Abstract
The thermodynamic cycle--perturbation method is a new theoretical approach for predicting how alterations in molecular structure will change the thermodynamics of any of a large number of possible molecular processes (1–7). The structural alteration might for example be a single-site mutation in a protein or a chemical modification of a drug molecule. The process of interest might be the folding of a protein, the binding of a ligand to a receptor, the association of a repressor protein to an operator region of DNA, etc.; and the thermodynamic quantity to be predicted might be a relative free energy of folding or binding, an entropy or enthalpy of activation, or any other quantity.
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Wong, C.F., McCammon, J.A. (1987). Thermodynamics of Enzyme Folding and Activity: Theory and Experiment. In: Ehrenberg, A., Rigler, R., Gräslund, A., Nilsson, L. (eds) Structure, Dynamics and Function of Biomolecules. Springer Series in Biophysics, vol 1. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-71705-5_12
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DOI: https://doi.org/10.1007/978-3-642-71705-5_12
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