Protein structure similarity clustering: Dynamic treatment of PDB structures facilitates clustering

被引:13
作者
Charette, Bradley D.
MacDonald, Richard G.
Wetzel, Stefan
Berkowitz, David B. [1 ]
Waldmann, Herbert
机构
[1] Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA
[2] Max Planck Inst Mol Physiol, Abt Chem Biol, D-44227 Dortmund, Germany
[3] Univ Dortmund, Fachbereich Chem Biol 3, Dortmund, Germany
关键词
biological information; combinatorial chemistry; molecular dynamics; protein structures; target selection;
D O I
10.1002/anie.200602125
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
In the family: The introduction of ligand docking, molecular dynamics, and the VAST algorithm into protein structure similarity clustering greatly streamlines the process and opens up otherwise unseen connections to new protein-cluster partners. VAST = vector alignment search tool. (Figure Presented). © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.
引用
收藏
页码:7766 / 7770
页数:5
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