Structure-based drug design of an inhibitor of the SARS-CoV-2 (COVID-19) main protease using free software: A tutorial for students and scientists
Sheng Zhang, Maj Krumberger, Michael A. Morris, Chelsea Marie T. Parrocha, Adam G. Kreutzer, James S. Nowick
Topics & Concepts
Coronavirus disease 2019 (COVID-19)ChemistryAutoDockPeptideSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Docking (animal)SoftwareProteaseAntiviral drugCoronavirusComputational biologyComputer scienceDrugBiochemistryEnzymePharmacologyProgramming languageBiologyMedicineInfectious disease (medical specialty)NursingPathologyGeneIn silicoDiseaseComputational Drug Discovery MethodsSynthesis and biological activityClick Chemistry and Applications