Automated Computational Technique to Improve the Quality of SARS-CoV-2 Proteins

Abstract

The COVID-19 pandemic caused by SARS-CoV-2 is a global health emergency. in order to develop an effective drug or a preventative vaccine, it is critical for research and development teams to have access to high-resolution and accurate viral protein structures. Current COVID-19 proteins available on the Protein Data Bank contain some moderate- to low-resolution structures. in order to improve the quality of the structures, we used a torsional optimization protocol that combines Protein Data Bank-based torsional optimization with real-space refinement against the electron density derived from crystallography or cryo-electron microscopy.