首页>
外国专利>
Computational Systems and Methods for Discovering Allosteric Sites and Allosteric Modulators of Proteins
Computational Systems and Methods for Discovering Allosteric Sites and Allosteric Modulators of Proteins
展开▼
机译:用于发现蛋白质的变构位点和变构调制剂的计算系统和方法
展开▼
页面导航
摘要
著录项
相似文献
摘要
Methods and systems are described for identification and characterization of allosteric sites in proteins and enzyme molecules. The disclosed methods allow for identification of natural and true binding sites on surface regions of protein and enzyme molecules by following the pathways of energy flow between the activity center to the surface regions. Allosteric sites are identified and ranked for their effect on target activity of the protein using computational methods. Then chemical libraries are screened to find the best candidates for drug like molecules that affect target activity of the protein or enzyme.
展开▼