PMC:7755033 / 101650-102202 JSONTXT

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LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
1950 329-335 Gene denotes PL-pro Gene:43740578
1951 337-340 Gene denotes PDB Gene:5131
1952 57-60 Gene denotes PDB Gene:5131
1953 31-41 Species denotes SARS-CoV-2 Tax:2697049
1954 318-328 Species denotes SARS-CoV-2 Tax:2697049
1955 76-89 Chemical denotes withanolide A

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T1055 0-12 Sentence denotes Figure 12.1.
T1056 14-64 Sentence denotes MD Simulation of SARS-CoV-2 main protease (PDB ID:
T1057 65-344 Sentence denotes 6LU7) with withanolide A using LARMD online server. (A) Ligand-protein conformation (B) RMSD of receptor and ligand (C) RMSD histogram of receptor (D) RMSD histogram of ligand (E) Radius of gyration- Rg value (F) Fraction of native contacts analysis of SARS-CoV-2 PL-pro (PDB ID:
T1058 345-552 Sentence denotes 6W9C) with withanolide A, over a time frame of 4000ps (4 ns) (G) RMSF value of each residue (H) B-factor value (changing from blue to red with increase in value) and (I) B-factor analysis of defined complex.