Titlebook: Optimization-based Molecular Dynamics Studies of SARS-CoV-2 Molecular Structures; Research on COVID- 1 Jiapu Zhang Book 2023 The Editor(s)

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3C-Like Protease (3CLpro),ntiviral drugs. This chapter firstly did the work skillfully by locally optimizing the structures of SARS-CoV-2 3C-like protease (3CLpro) in complex with its inhibitor, N3/carmofur (6LU7.pdb & 7BQY.pdb/7BUY.pdb), from COVID-19 virus; then some new structural bioinformatics from the structures optimi

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RNA-Dependent RNA Polymerase (RdRp),tors, i.e., NSP7 and NSP8 (6M71.pdb and 7BTF.pdb), respectively, from COVID-19 virus; then some new structural bioinformatics from the structures optimized for developing therapies of the currently fatal COVID-19 virus are reported. Currently, lots of researchers are using optimization to screen, do

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RNA Helicase,too. It facilitates/stimulates SARS-CoV-2 RdRp backtracking. Molecular dynamics (MD) simulations of the NSP13.-BTC. and NSP13.-BTC. complexes were done in Malone et al. (Proc Natl Acad Sci USA 118(19):e2102516118, 2021) and confirmed the results: “the single-stranded 3’-segment of the product-RNA ge

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