Id |
Subject |
Object |
Predicate |
Lexical cue |
T582 |
0-153 |
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 |
154-260 |
Sentence |
denotes |
The solved X-ray crystal structure of SARS-CoV nsp14 (PDB 5C8T) was used as a static receptor for docking. |
T584 |
261-375 |
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 |
376-453 |
Sentence |
denotes |
The ligand structures were drawn and minimized using MarvinSketch (ChemAxon). |
T586 |
454-590 |
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 |
591-737 |
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 |
738-808 |
Sentence |
denotes |
After calculations, PDB files were analyzed using Pymol (version 2.3). |