Rigid-Docking Approaches to Explore Protein-Protein Interaction Space
Rigid-Docking Approaches to Explore Protein-Protein Interaction Space
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DOI：
10.1007/10_2016_41
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发表时间：
2017-01-01
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影响因子：
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通讯作者：
Akiyama, Yutaka
中科院分区：
文献类型：
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作者：
Matsuzaki, Yuri;Uchikoga, Nobuyuki;Akiyama, Yutaka
蛋白质-蛋白质相互作用在活细胞中起着核心作用，特别是在调节系统中。随着蛋白质信息在公共数据库中的快速积累，人们已经做出了很大努力来利用蛋白质三级结构数据更好地了解蛋白质-蛋白质相互作用网络。预测相关的相互作用的合作伙伴从他们的三级结构是一项具有挑战性的任务和计算机科学方法有可能帮助这一点。蛋白质蛋白质刚性对接已被多个项目利用，基于对接的方法具有以下优点：它们可以建议预测结合伴侣的结合姿势，这将有助于理解相互作用机制，并且比较非结合剂和结合剂的对接结果可以导致从结构角度理解蛋白质-蛋白质相互作用的特异性。在这篇综述中，我们专注于解释目前的计算预测方法来预测成对的直接蛋白质-蛋白质相互作用，形成蛋白质复合物。
Protein-protein interactions play core roles in living cells, especially in the regulatory systems. As information on proteins has rapidly accumulated on publicly available databases, much effort has been made to obtain a better picture of protein-protein interaction networks using protein tertiary structure data. Predicting relevant interacting partners from their tertiary structure is a challenging task and computer science methods have the potential to assist with this. Proteinprotein rigid docking has been utilized by several projects, docking-based approaches having the advantages that they can suggest binding poses of predicted binding partners which would help in understanding the interaction mechanisms and that comparing docking results of both non-binders and binders can lead to understanding the specificity of protein-protein interactions from structural viewpoints. In this review we focus on explaining current computational prediction methods to predict pairwise direct protein-protein interactions that form protein complexes.