Homology modelling was performed with SWISS-MODEL for the protein sequence of SARS-CoV-2-S using the crystal structure of SARS-CoV-S and ACE2 complex (PDB ID: 6ACD) as a template. The modelled protein was validated for quality using a Ramachandran plot and prepared for molecular docking studies using the Protein Preparation Wizard feature of the Schrodinger Small Molecule Suite 31. This analysis could also have been performed using open source software such as AutoDock 32 or SwissDock 33.
Do you have any questions about this protocol?
Post your question to gather feedback from the community. We will also invite the authors of this article to respond.