| Id |
Subject |
Object |
Predicate |
Lexical cue |
| T138 |
0-182 |
Sentence |
denotes |
The energy-minimized structure of all the natural polyphenols, remdesivir, and GTP were docked with the receptor (RdRp of SARS-CoV-2) using AutoDock Vina 1.1.2 (Trott & Olson, 2010). |
| T139 |
183-371 |
Sentence |
denotes |
The ligand files were further saved in PDBQT file format, a modified PDB format containing atomic charges, atom type definitions for ligands, and topological information (rotatable bonds). |
| T140 |
372-495 |
Sentence |
denotes |
A grid box (30 Å × 30 Å × 30 Å) centered at (121, 120, 125) Å for the SARS-CoV-2 RdRp, was used in the docking experiments. |
| T141 |
496-585 |
Sentence |
denotes |
After the receptor-ligand preparation, docking runs were started from the command prompt. |
| T142 |
586-710 |
Sentence |
denotes |
The lowest binding energy and best-docked conformation were considered as the ligand molecule with maximum binding affinity. |
