Virtual screening

Bioinformatics

Protein Data Bank (RCSB PDB)

Biology

Operating system

Macromolecular docking

Protein Data Bank

The Internet

Web server

Nursing

Programming language

Computer science

Protein structure

Computational biology

Drug discovery

Docking (animal)

Searching the conformational space for docking

Biochemistry

Medicine

Protein–ligand docking

Template

Nature Protocols

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. The HDOCK server is developed for template-based and template-free protein–protein docking, using amino acid sequences or PDB structures as inputs. HDOCK can incorporate SAXS data and can be applied to protein–RNA/DNA docking.

The HDOCK server for integrated protein–protein docking