The FALC-Loop web server for protein loop modeling.

The FALC-Loop web server for protein loop modeling.
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DOI:
10.1093/nar/gkr352
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发表时间:
2011-07
影响因子:
14.9
通讯作者:
Seok C
Seok C
中科院分区:
生物学2区
文献类型:
--
作者:
Ko J;Lee D;Park H;Coutsias EA;Lee J;Seok C

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BECHC-Loop Web服务器通过采用称为BECHC(片段组装和分析环闭合)的从头算环建模方法为蛋白质环建模提供在线接口。该服务器可用于在同源性建模中构建环区,以改进实验结构中的不可靠环区或对设计序列的片段进行建模。由于构象搜索空间通过使用来自结构数据库的片段而有效地减小,因此,与典型的从头算方法相比,该方法在计算上更便宜。分析环路闭合算法允许有效地搜索适合于从片段组装结构开始的蛋白质框架的环路构象。与其他最先进的环路建模方法相比,该方法的预测精度更高。排名靠前的模型结构可以在Web服务器上可视化,并且可以下载循环结构的集合以供进一步分析。网站服务器可以在http://falc-loop.seoklab.org/上自由访问。
The FALC-Loop web server provides an online interface for protein loop modeling by employing an ab initio loop modeling method called FALC (fragment assembly and analytical loop closure). The server may be used to construct loop regions in homology modeling, to refine unreliable loop regions in experimental structures or to model segments of designed sequences. The FALC method is computationally less expensive than typical ab initio methods because the conformational search space is effectively reduced by the use of fragments derived from a structure database. The analytical loop closure algorithm allows efficient search for loop conformations that fit into the protein framework starting from the fragment-assembled structures. The FALC method shows prediction accuracy comparable to other state-of-the-art loop modeling methods. Top-ranked model structures can be visualized on the web server, and an ensemble of loop structures can be downloaded for further analysis. The web server can be freely accessed at http://falc-loop.seoklab.org/.
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