Protein-protein docking with binding site patch prediction and network-based terms enhanced combinatorial scoring
Protein-protein docking with binding site patch prediction and network-based terms enhanced combinatorial scoring
复制标题
具有结合位点补丁预测和基于网络的术语的蛋白质-蛋白质对接增强了组合评分
DOI：
10.1002/prot.22831
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发表时间：
2010-11-15
影响因子：
2.9
通讯作者：
Wang, Cunxin
中科院分区：
文献类型：
--
作者：
Gong, Xinqi;Wang, Panwen;Wang, Cunxin
蛋白质对接近年来取得了很大的进展，但仍存在挑战。在这里，我们介绍了我们的对接方法Ho Dock在卡普里中的应用。该方法通过结合位点预测来减少对接采样空间，过滤掉不合理的对接结构，并采用基于网络的增强型组合评分函数HPNCscore对诱饵进行评价.将实验信息与预测的结合位点相结合，以挑选出最可能的关键结合位点残基。我们在最近几轮的卡普里实验中应用了Ho Dock方法，并在目标39、40和41上获得了良好的预测结果。我们在目标35、37、40和41上也取得了很好的成绩。这表明，我们的对接方法可以有助于蛋白质-蛋白质对接方法的进展和蛋白质-蛋白质相互作用机制的理解。Proteins 2010; 78：3150-3155. (C)2010 Wiley-Liss，Inc.
Protein protein docking has made much progress in recent years, but challenges still exist. Here we present the application of our docking approach Ho Dock in CAPRI. In this approach, a binding site prediction is implemented to reduce docking sampling space and filter out unreasonable docked structures, and a network-based enhanced combinatorial scoring function HPNCscore is used to evaluate the decoys. The experimental information was combined with the predicted binding site to pick out the most likely key binding site residues. We applied the Ho Dock method in the recent rounds of the CAPRI experiments, and got good results as predictors on targets 39, 40, and 41. We also got good results as scorers on targets 35, 37, 40, and 41. This indicates that our docking approach can contribute to the progress of protein protein docking methods and to the understanding of the mechanism of protein protein interactions. Proteins 2010; 78:3150-3155. (C) 2010 Wiley-Liss, Inc.