蛋白质数据库
蛋白质数据库
数据库
计算机科学
数据挖掘
情报检索
化学
蛋白质结构
生物化学
作者
Zhihai Liu,Yan Li,Han Liang,Jie Li,Jie Liu,Zhixiong Zhao,Wei Nie,Yuchen Liu,Renxiao Wang
出处
期刊:Bioinformatics
[Oxford University Press]
日期:2014-10-09
卷期号:31 (3): 405-412
被引量:378
标识
DOI:10.1093/bioinformatics/btu626
摘要
Molecular recognition between biological macromolecules and organic small molecules plays an important role in various life processes. Both structural information and binding data of biomolecular complexes are indispensable for depicting the underlying mechanism in such an event. The PDBbind database was created to collect experimentally measured binding data for the biomolecular complexes throughout the Protein Data Bank (PDB). It thus provides the linkage between structural information and energetic properties of biomolecular complexes, which is especially desirable for computational studies or statistical analyses.Since its first public release in 2004, the PDBbind database has been updated on an annual basis. The latest release (version 2013) provides experimental binding affinity data for 10,776 biomolecular complexes in PDB, including 8302 protein-ligand complexes and 2474 other types of complexes. In this article, we will describe the current methods used for compiling PDBbind and the updated status of this database. We will also review some typical applications of PDBbind published in the scientific literature.All contents of this database are freely accessible at the PDBbind-CN Web server at http://www.pdbbind-cn.org/.wangrx@mail.sioc.ac.cn.Supplementary data are available at Bioinformatics online.
科研通智能强力驱动
Strongly Powered by AbleSci AI