Computational study on peptidomimetic inhibitors against SARS-CoV-2 main protease
Tuanjai Somboon, Panupong Mahalapbutr, Kamonpan Sanachai, Phornphimon Maitarad, Vannajan Sanghiran Lee, Supot Hannongbua, Thanyada Rungrotmongkol
Topics & Concepts
PeptidomimeticChemistryStereochemistryProteaseMolecular dynamicsHydrogen bondBinding siteCombinatorial chemistryInteraction energyComputational chemistryMolecular mechanicsEnzymeBiochemistryOrganic chemistryMoleculePeptideComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchProtein Structure and Dynamics