European Molecular Biology Laboratory-European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, UK.
1] European Molecular Biology Laboratory-European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, UK. [2].
Nat Methods. 2014 Feb;11(2):171-4. doi: 10.1038/nmeth.2803. Epub 2014 Jan 12.
We present EC-BLAST (http://www.ebi.ac.uk/thornton-srv/software/rbl/), an algorithm and Web tool for quantitative similarity searches between enzyme reactions at three levels: bond change, reaction center and reaction structure similarity. It uses bond changes and reaction patterns for all known biochemical reactions derived from atom-atom mapping across each reaction. EC-BLAST has the potential to improve enzyme classification, identify previously uncharacterized or new biochemical transformations, improve the assignment of enzyme function to sequences, and assist in enzyme engineering.
我们介绍了 EC-BLAST（http://www.ebi.ac.uk/thornton-srv/software/rbl/），这是一种算法和网络工具，用于在三个层次上进行酶反应之间的定量相似性搜索：键变化、反应中心和反应结构相似性。它使用键变化和反应模式来表示所有已知的生化反应，这些反应是通过在每个反应中进行原子到原子的映射而得到的。EC-BLAST 有可能改善酶的分类，识别以前未表征或新的生化转化，提高酶功能到序列的分配，并协助酶工程。
