Potential of mean force for protein-protein interaction studies

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	Potential of mean force for protein-protein interaction studies
	Jiang Lin ; Gao Ying ; Mao Fenglou ; Liu Zhijie ; Lai Luhua
刊名	proteins
	2002
英文摘要	Calculating protein-protein interaction energies is crucial for understanding protein-protein associations. On the basis of the methodology of mean-field potential, we have developed an empirical approach to estimate binding free energy for protein-protein interactions. This knowledge-based approach has been used to derive distance-dependent free energies of protein complexes from a nonredundant training set in the Protein Data Bank (PDB), with a careful treatment of homology. We calculate atom pair potentials for 16 pair interactions, which can reflect the importance of hydrophobic interactions and specific hydrogen-bonding interactions. The derived potentials for hydrogen-bonding interactions show a valley of favorable interactions at a distance of approximately 3 A, corresponding to that of an established hydrogen bond. For the test set of 28 protein complexes, the calculated energies have a correlation coefficient of 0.75 compared with experimental binding free energies. The performance of the method in ranking the binding energies of different protein-protein complexes shows that the energy estimation can be applied to value binding free energies for protein-protein associations.Copyright 2001 Wiley-Liss, Inc.; SCI(E); PubMed; 0; ARTICLE; 2; 190-6; 46
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/347394]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Jiang Lin,Gao Ying,Mao Fenglou,et al. Potential of mean force for protein-protein interaction studies[J]. proteins,2002.
APA	Jiang Lin,Gao Ying,Mao Fenglou,Liu Zhijie,&Lai Luhua.(2002).Potential of mean force for protein-protein interaction studies.proteins.
MLA	Jiang Lin,et al."Potential of mean force for protein-protein interaction studies".proteins (2002).