Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface
Julia Liang, Chris Karagiannis, Eleni Pitsillou, Kevion K. Darmawan, Ken Ng, Andrew Hung, Tom C. Karagiannis
Topics & Concepts
Active siteDocking (animal)ChemistryProteaseSmall moleculeBinding siteAllosteric regulationStereochemistryLinkerPeptidomimeticDimerBiochemistryEnzymeMedicineOperating systemOrganic chemistryComputer sciencePeptideNursingComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchInfluenza Virus Research Studies