A Multibody Atomic Statistical Potential for Predicting Enzyme-Inhibitor Binding Energy
نویسندگان
چکیده
منابع مشابه
Accurate prediction of enzyme mutant activity based on a multibody statistical potential
MOTIVATION An important area of research in biochemistry and molecular biology focuses on characterization of enzyme mutants. However, synthesis and analysis of experimental mutants is time consuming and expensive. We describe a machine-learning approach for inferring the activity levels of all unexplored single point mutants of an enzyme, based on a training set of such mutants with experiment...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2013
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2012.11.2258