De Novo design of potential inhibitors against SARS-CoV-2 Mpro
Shimeng Li, Lianxin Wang, Jinhui Meng, Qi Zhao, Li Zhang, Hongsheng Liu
Topics & Concepts
Computer scienceCoronavirus disease 2019 (COVID-19)Drug discoverySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Computational biologyProteaseDeep learningArtificial intelligenceChemistryBiologyBiochemistryMedicineEnzymeInfectious disease (medical specialty)PathologyDiseaseComputational Drug Discovery MethodsSynthesis and biological activityMachine Learning in Materials Science