Article ID Journal Published Year Pages File Type
5394630 Computational and Theoretical Chemistry 2012 7 Pages PDF
Abstract
► A mixed scheme is used to dissect energy components in enzyme-substrate binding. ► A good agreement of calculated with experimental binding energies is observed. ► Strain energy is responsible for the specificity of enzyme-substrate recognition. ► Enzyme active site possesses significant rigidity and also some flexibility.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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