Biomolecular Modelling Laboratory, Cancer Research UK London Research Institute, London WC2A 3LY, UK.
Bioinformatics. 2013 Mar 15;29(6):807-9. doi: 10.1093/bioinformatics/btt038. Epub 2013 Jan 23.
Protein-protein interactions are central to almost all biological functions, and the atomic details of such interactions can yield insights into the mechanisms that underlie these functions. We present a web server that wraps and extends the SwarmDock flexible protein-protein docking algorithm. After uploading PDB files of the binding partners, the server generates low energy conformations and returns a ranked list of clustered docking poses and their corresponding structures. The user can perform full global docking, or focus on particular residues that are implicated in binding. The server is validated in the CAPRI blind docking experiment, against the most current docking benchmark, and against the ClusPro docking server, the highest performing server currently available.
蛋白质-蛋白质相互作用是几乎所有生物功能的核心，这些相互作用的原子细节可以深入了解这些功能的机制。我们提供了一个网络服务器，它封装和扩展了 SwarmDock 灵活的蛋白质-蛋白质对接算法。上传结合伴侣的 PDB 文件后，服务器会生成低能量构象，并返回聚类对接构象及其相应结构的排名列表。用户可以执行完整的全局对接，也可以专注于与结合有关的特定残基。该服务器在 CAPRI 盲对接实验中得到验证，与最新的对接基准以及当前表现最好的 ClusPro 对接服务器进行了比较。
