ClusPro PeptiDock：使用 FFT 进行高效的肽识别基序全局对接。
ClusPro PeptiDock: efficient global docking of peptide recognition motifs using FFT.
机构信息
Department of Biomedical Engineering, Boston University, Boston, MA 02215, USA.
Department of Microbiology, Hebrew University, Jerusalem 91120, Israel.
出版信息
Bioinformatics. 2017 Oct 15;33(20):3299-3301. doi: 10.1093/bioinformatics/btx216.
SUMMARY
We present an approach for the efficient docking of peptide motifs to their free receptor structures. Using a motif based search, we can retrieve structural fragments from the Protein Data Bank (PDB) that are very similar to the peptide's final, bound conformation. We use a Fast Fourier Transform (FFT) based docking method to quickly perform global rigid body docking of these fragments to the receptor. According to CAPRI peptide docking criteria, an acceptable conformation can often be found among the top-ranking predictions.
AVAILABILITY AND IMPLEMENTATION
The method is available as part of the protein-protein docking server ClusPro at https://peptidock.cluspro.org/nousername.php.
CONTACT
midas@laufercenter.org or oraf@ekmd.huji.ac.il.
SUPPLEMENTARY INFORMATION
Supplementary data are available at Bioinformatics online.
摘要
我们提出了一种有效的肽基序与其游离受体结构对接的方法。通过基于基序的搜索，我们可以从蛋白质数据库（PDB）中检索与肽的最终结合构象非常相似的结构片段。我们使用基于快速傅里叶变换（FFT）的对接方法快速将这些片段全局刚体对接至受体。根据 CAPRI 肽对接标准，通常可以在排名靠前的预测中找到可接受的构象。
可用性和实现
该方法可作为蛋白质-蛋白质对接服务器 ClusPro 的一部分使用，网址为 https://peptidock.cluspro.org/nousername.php。
联系方式
midas@laufercenter.org 或 oraf@ekmd.huji.ac.il。
补充信息
补充数据可在Bioinformatics 在线获取。
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