| Id |
Subject |
Object |
Predicate |
Lexical cue |
| T581 |
0-22 |
Sentence |
denotes |
4.5 Molecular docking |
| T582 |
23-176 |
Sentence |
denotes |
All calculations were performed using Autodock vina (The Scripps Research Institute, La Jolla, CA) on a MSI computer with a 2.30 GHz Intel Core i5-8300H. |
| T583 |
177-283 |
Sentence |
denotes |
The solved X-ray crystal structure of SARS-CoV nsp14 (PDB 5C8T) was used as a static receptor for docking. |
| T584 |
284-398 |
Sentence |
denotes |
Both the co-crystalized ligand SAM and ions were removed from the SARS-CoV nsp14 protein using VMD 1.9.3 software. |
| T585 |
399-476 |
Sentence |
denotes |
The ligand structures were drawn and minimized using MarvinSketch (ChemAxon). |
| T586 |
477-613 |
Sentence |
denotes |
Targeted protein and ligand structures with polar hydrogens were converted to the required PDBQT format using MGL Tools (version 1.5.6). |
| T587 |
614-760 |
Sentence |
denotes |
The docking was performed with a search box located at x = −11.155, y = −40.77, z = −3.688 coordinates, with a search box size of 25 × 25 × 25 Å3. |
| T588 |
761-831 |
Sentence |
denotes |
After calculations, PDB files were analyzed using Pymol (version 2.3). |
