Optimization-based Molecular Dynamics Studies of SARS-CoV-2 Molecular Structures
portes grátis
Optimization-based Molecular Dynamics Studies of SARS-CoV-2 Molecular Structures
Research on COVID- 19
Zhang, Jiapu
Springer International Publishing AG
10/2024
953
Mole
9783031367755
15 a 20 dias
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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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Molecular dynamics;Protein structure;COVID;Bioinformatics;computational biochemistry;computational biophysics;Coronavirus
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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