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An insight into the interaction between α-ketoamide- based inhibitor and coronavirus main protease: A detailed in silico study

Snehasis Banerjee

2020Biophysical Chemistry16 citationsDOIOpen Access PDF

Topics & Concepts

ChemistryTetrahedral carbonyl addition compoundONIOMDeprotonationCovalent bondStereochemistryCysteine proteaseCysteineQM/MMNucleophileOxyanion holeActive siteComputational chemistryCombinatorial chemistryMolecular dynamicsEnzymeOrganic chemistryMoleculeIonCatalysisSynthesis and Characterization of Heterocyclic CompoundsSynthesis and biological activityComputational Drug Discovery Methods
An insight into the interaction between α-ketoamide- based inhibitor and coronavirus main protease: A detailed in silico study | Litcius