大分子对接
寻找对接的构象空间
计算机科学
Web服务器
对接(动物)
服务器
蛋白质数据库
计算生物学
模板
蛋白质结构
蛋白质-配体对接
互联网
生物信息学
生物
操作系统
虚拟筛选
生物化学
药物发现
程序设计语言
医学
护理部
作者
Yumeng Yan,Huanyu Tao,Jiahua He,Sheng‐You Huang
出处
期刊:Nature Protocols
[Springer Nature]
日期:2020-04-08
卷期号:15 (5): 1829-1852
被引量:921
标识
DOI:10.1038/s41596-020-0312-x
摘要
The HDOCK server (http://hdock.phys.hust.edu.cn/) is a highly integrated suite of homology search, template-based modeling, structure prediction, macromolecular docking, biological information incorporation and job management for robust and fast protein-protein docking. With input information for receptor and ligand molecules (either amino acid sequences or Protein Data Bank structures), the server automatically predicts their interaction through a hybrid algorithm of template-based and template-free docking. The HDOCK server distinguishes itself from similar docking servers in its ability to support amino acid sequences as input and a hybrid docking strategy in which experimental information about the protein-protein binding site and small-angle X-ray scattering can be incorporated during the docking and post-docking processes. Moreover, HDOCK also supports protein-RNA/DNA docking with an intrinsic scoring function. The server delivers both template- and docking-based binding models of two molecules and allows for download and interactive visualization. The HDOCK server is user friendly and has processed >30,000 docking jobs since its official release in 2017. The server can normally complete a docking job within 30 min.
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