Cover image for Optimization-based Molecular Dynamics Studies of SARS-CoV-2 Molecular Structures Research on COVID- 19
Title:
Optimization-based Molecular Dynamics Studies of SARS-CoV-2 Molecular Structures Research on COVID- 19
Author:
Zhang, Jiapu. author.
ISBN:
9783031367731
Edition:
1st ed. 2023.
Physical Description:
XX, 953 p. 1 illus. online resource.
Series:
Springer Series in Biophysics, 23
Contents:
1 Papain-Like cysteine protease (PLpro) -- 2 3C-Like protease (3CLpro) -- 3 RNA-dependent RNA polymerase (RdRp) -- 4 RNA-helicase -- 5 RNA-helicase binding with [RdRp, NSP7, NSP8a, NSP8b, pRNA, tRNA, ADP-Mg2+, ATP-Mg2+] -- 6 RNA-helicase binding with [ADP-Mg2+, ATP-Mg2+, and RNA] -- 7 Spike (S) glycoprotein -- 8 Spike (S) glycoprotein D614G mutant -- 9 Spike (S) glycoprotein N501Y mutant -- 10 Spike (S) glycoprotein N165A-and-N234A mutant -- 11 SARS (SARS-CoV-1) -- 12 MERS-coronavirus (MERS) -- 13 Human-ACE2, human-L6, human-L6R, human-nAChRs -- 14 PLpro binding with 12 compounds -- 15 3CLpro binding with N3/Lopinavir/Ritonavir -- 16 3CLpro dimer binding with 7 HIV-inhibitors and Others -- 17 Spike RBDs binding with 50 drugs -- 18 Human ACE2 ectodomain binding with 78 drugs -- 19 Spike-and-ACE2 binding with 100 drugs -- 20 Envelope protein (E-protein) -- 21 Membrane glycoprotein (M-protein) -- 22 Nucleocapsid phosphoprotein (N-protein) -- 23 SARS-CoV-2 RNA genome -- 24 NSP7, NSP8, NSP9, NSP10, NSP16, NSP14 -- 25 NSP15 -- 26 Other mutants -- 27 Vaccines and Drugs -- 28 Pandemic Mathematical Models, Epidemiology and Virus Origins -- A Mathematical Optimization Algorithms and Free Energy Calculations -- References -- Index.
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