Authors
- Kendall Byler ,
- Joseph Landman ,
- Jerome Baudry
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The University of Alabama in Huntsville
Abstract
This work describes using a supercomputer to perform virtual screening of natural products and natural products derivatives against several conformations of 3 proteins of SARS-CoC-2 : papain-like protease, main protease and spike protein. We analyze the common chemical features of the top molecules predicted to bind and describe the pharmacophores responsible for the predicted binding.
Version notes
Version number 2 with legend of Fig 1 and correct size for Fig. 7
Content
