Computational method for relative binding energies of enzyme-substrate complexes
نویسندگان
چکیده
منابع مشابه
Computational method for relative binding energies of enzyme-substrate complexes.
A computational method for estimating the relative binding free energies of enzyme-substrate complexes is described that combines electrostatic and solvation models and X-ray crystallographic data. The polar contribution is evaluated by the Poisson-Boltzman equation. The nonpolar contribution is evaluated by solvent transfer data and surface area calculations. This algorithm was used to calcula...
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ژورنال
عنوان ژورنال: Protein Science
سال: 1996
ISSN: 0961-8368
DOI: 10.1002/pro.5560050219