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. 2022 Jun 22;27(13):4020. doi: 10.3390/molecules27134020
3CLpro 3C-like protease
AI artificial intelligence
BA binding affinity
CADD computer-aided drug design
EA evolutionary algorithm
EMGA evolutionary molecular generation algorithm
LSTM long short-term memory
MOSES molecular sets (benchmarking plattform)
MD molecular dynamics
Mpro main protease