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首页> 外文期刊>Proteins: Structure, Function, and Genetics >Protein-protein docking with binding site patch prediction and network-based terms enhanced combinatorial scoring.
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Protein-protein docking with binding site patch prediction and network-based terms enhanced combinatorial scoring.

机译:具有结合位点补丁预测和基于网络的术语的蛋白质对接增强了组合评分。

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摘要

Protein-protein docking has made much progress in recent years, but challenges still exist. Here we present the application of our docking approach HoDock 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 HoDock 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.
机译:蛋白质-蛋白质对接近年来已取得很大进展,但仍然存在挑战。在这里,我们介绍了我们的对接方法HoDock在CAPRI中的应用。在这种方法中,实现了结合位点预测,以减少对接采样空间并过滤掉不合理的对接结构,并使用基于网络的增强型组合评分功能HPNCscore来评估诱饵。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CAPRI实验中应用了HoDock方法,并在目标39、40和41上获得了良好的预测指标。在目标35、37、40和41上获得了得分指标,也获得了不错的结果。我们的对接方法可以促进蛋白质-蛋白质对接方法的进步以及对蛋白质-蛋白质相互作用机理的理解。

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