This website is free and open to all users and there is no login requirement.

What We Do

nCoVDock2 (COVID-19 Docking Server 2.0), was constructed to facilitate people to evaluate the binding modes and binding affinities between the targets and small molecules, peptides as well as antibodies. By launching the server, we hope to provide a free and easy to use tool for people who is interested in drug discovery against COVID-19.

Docking

The ‘Docking’ mode is to provide docking single small molecule to the selected target. Two scoring functions, the docking score of Autodock Vina 1.2 and the RF-Score-v4, are implemented to evaluate the docking poses.

Batch Docking

If users have a set of small molecules and want to explore the changes in predicted binding affinity with various chemical substitutions, the ‘Batch Docking’ mode should be chosen.

Peptide Docking

The structure of peptide can be uploaded as ligand to dock to the target. CoDockPP is used as the docking engine.

Antibody Docking

The structure of antibody can be uploaded to dock to the target. CoDockPP is used as the docking engine.

Our Updates

Compared with the previous version, new COVID-19 Docking Server has been updated in three aspects.

SUPPORT MORE TARGETS

We replaced the modeling structures with the newly resolved structures and added more potential targets of COVID-19.

DOCKING METHOD IMPROVEMENT

For small molecule docking, Autodock Vina is upgraded to the latest version 1.2. For peptide or antibody docking, a new scoring function is added in the CoDockPP docking strategy.

SERVER INTERFACE UPDATE

The new server provides more user-friendly interface and molecular visualization for users.