Category: T1 - COVID Specific Drug Discovery PS ID : DDT1-15

Building a complete structural model for SARS-CoV-2

Building a complete model of SARS-CoV-2 consistent with cryoEM, sequence and structural data for detailed visualization. The structures of proteins already characterized by experiments can be taken from the PDB database and the structures of proteins not available yet should be modeled. The full-length RNA sequence should be considered (for any clade) and modeled. The quantitative values of number density etc should be taken from literature mining. One way to build the membrane can be from generating a mesh on the cryoEM structure and position lipids on the mesh. The numbers of each protein should be taken from literature (eLife 2020;9:e57309). Please model the structures in sub-nanometer resolution and structural parts that are not available using homology models etc. Please provide a detailed list: (a) all molecules modelled (b) resolution of protein and RNA structure considered (c) lipid types considered (d) Size of final virion (e) Snapshots of the full virus and zoom in to all parts modeled.

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