PMC:7784834 / 29012-30299 JSON TXT

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Id	Subject	Object	Predicate	Lexical cue	tao:has_database_id
391	157-162	Gene	denotes	spike	Gene:43740568
392	321-326	Gene	denotes	spike	Gene:43740568
393	495-500	Gene	denotes	spike	Gene:43740568
394	991-992	Gene	denotes	N	Gene:43740575
395	994-999	Gene	denotes	spike	Gene:43740568
396	1015-1020	Gene	denotes	spike	Gene:43740568
397	1072-1073	Gene	denotes	N	Gene:43740575
398	1039-1040	Gene	denotes	N	Gene:43740575
399	1012-1013	Gene	denotes	N	Gene:43740575

Id	Subject	Object	Predicate	Lexical cue
T204	0-139	Sentence	denotes	The radius of gyration analysis was evaluated to determine the change in compactness of protein systems used throughout the MD simulations.
T205	140-475	Sentence	denotes	The Rg plots for spike, main protease and its complex with rutin show slight fluctuations at the initial frame and attain compactness after 30 ns with Rg score of 3.85 nm and 4 nm (spike and spike-rutin) and after 20 ns with Rg score of 2.27 nm and 2.23 nm (main protease and main protease-rutin), respectively (Figures 2(C) and 3(C)).
T206	476-687	Sentence	denotes	When compared with spike protein, Rg value for spike-rutin is stabilized and remains constant, suggesting strong binding interaction of the inhibitor, and the same is observed in case of main protease and rutin.
T207	688-922	Sentence	denotes	Similar observations were determined through SASA analysis representing the solvent defined protein surface and its orientation through folding, making the alterations in the exposed and buried regions of the surface area of proteins.
T208	923-1120	Sentence	denotes	The SASA values for all the simulation systems were about 460 nm/S2/N (spike), 485 nm/S2/N (spike-rutin), 154 nm/S2/N (main-protease), and 152 nm/S2/N (main protease-rutin) (Figures 2(D) and 3(D)).
T209	1121-1287	Sentence	denotes	Here, spike-rutin and main protease-rutin solvation profile shows a convincing SASA value suggesting a stable structure and strong binding interaction with the rutin.