| Id |
Subject |
Object |
Predicate |
Lexical cue |
| T221 |
0-223 |
Sentence |
denotes |
Further, hydrogen bond analysis revealed a higher number of hydrogen bonds with the surrounding water molecules in case of spike protein (2300 hydrogen bonds) than in complex with rutin (approximately, 2200 hydrogen bonds). |
| T222 |
224-377 |
Sentence |
denotes |
Similarly, in case of main protease, 700 hydrogen bonds were formed while 560 hydrogen bonds in case of main protease complex with rutin (Figure 6(A,B)). |
| T223 |
378-577 |
Sentence |
denotes |
In addition, the hydrogen bond landscape assessed against the inhibitor revealed the dynamic equilibration of the complex trajectories with a high number of hydrogen bonds, as shown in Figure 6(C,D). |
| T224 |
578-690 |
Sentence |
denotes |
The average number of hydrogen bonds within spike-rutin and main protease-rutin are 3.72 and 2.29, respectively. |
| T225 |
691-869 |
Sentence |
denotes |
The consistent numbers of hydrogen bonds were observed which contributed significantly to the proximal binding of the potent drug rutin with the spike and main protease receptor. |
| T226 |
870-1015 |
Sentence |
denotes |
The superimposed structures of spike protein and main protease both in complex with rutin before and after simulations is shown in Figure 7(A,B). |
| T227 |
1016-1145 |
Sentence |
denotes |
Further, these results were strengthened by the vital contribution of the complex binding energies throughout the simulation run. |
| T228 |
1146-1324 |
Sentence |
denotes |
These calculations with consistent high binding energies and large hydrogen bonds involvement demonstrated the stable binding of rutin with both spike and main protease proteins. |
