COVID-19 Docking Server

A web server for docking small molecule, peptide or antibody to COVID-19 protein targets.

Additional Notes

Welcome to use the updated version of COVID-19 docking server. The latest structures of targets, as well as the structures of variants are implemented in the new server:https://ncovdock2.schanglab.org.cn.

For small molecule docking, no metal ions, free ions or salt form should be included in the upload files. Or it will cause the failure of the jobs.

Do not submit the peptide molecules to the small molecule docking section. It will take a lot of computational time and no proper results will be generated due to the limitation of small molecule docking precedure.

Small Molecules

nCoV Protein Targets:     Main Protease Papain-like protease Nsp3(207-379, AMP site) Nsp3(207-379, MES site)
                                      RdRp(RTP site) RdRp(RNA site) Helicase(ADP site) Helicase(NCB site)
                                      Nsp14(ExoN) Nsp14(N7-MTase) Nsp15(endoribonuclease) Nsp16(GTA site)
                                      Nsp16(MGP site) Nsp16(SAM site) N protein(NCB site) [Explanation]

Computational Type: Docking (1 Molecule) Batch Docking (10-20 Molecules) [Explanation]

Input Small Molecule: [Docking example] [Batch Docking example] [Explanation]

Exhaustiveness Option: [Explanation]

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Peptide or Antibody

nCoV Protein Targets:     Spike RBD Spike monomer(close) Spike monomer(open) Spike trimer(close)
                                      Spike trimer(open) S2(post fusion state) ACE2 Membrane Protein
                                      E protein N protein N protein(C domain) N protein(N domain)
                                      Main protease Papain-like protease(dimer) Papain-like protease(monomer) Nsp3(207-379)
                                      Nsp7 Nsp8 Nsp12 RdRp without RNA(nsp12/7/8)
                                      Helicase Nsp14 Nsp15(endoribonuclease) Nsp16
                                      Nsp10 Nsp16/10(2'-O-methyltransferase) Nsp9(state1) Nsp9(state2)
                                      ORF7A Nsp1 Nsp2 Nsp4
                                      Nsp6 ORF3A ORF6 ORF8
                                      ORF10 [Explanation]

Input Peptide or Antibody: [Example] [Explanation]

Constraint Option:

Explanation

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Disclaimer

The web server is provided free of charge to the public without warranty. By using this tool, the users acknowledge the fact that the developing team shall not be liable for any of loss or damages caused by the usage of any information obtained from this website.

Current version: 2020 Visit count: 156637