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Updated: Jun 20, 2026

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
Published on: January 16, 2016
A comprehensive decomposition analysis of stabilization energy (CDASE) and its application in locating the
Priyanka Bagaria1, Soumen Saha, Siva Murru
1Department of Chemistry, Birla Institute of Technology and Science, Rajasthan, Pilani-333031, India.
Abstract:
Stabilization energy, as proposed by Parr and Pearson (J. Am. Chem. Soc., 1983, 105, 7512) is decomposed into fragments. When the donor is not a perfect one and both the donor and the acceptor are ordinary organic molecules this decomposition is shown to provide energy fragments which, individually, can be correlated to the reaction rate of that particular step. It is shown how these different energy fragments can be used, together with the global electrophilicity value of the acceptor (w(A)), to locate the rate-determining step in multi-step reactions.
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