| Id |
Subject |
Object |
Predicate |
Lexical cue |
| T45 |
0-121 |
Sentence |
denotes |
Crystal structure for SARS-CoV spike (PDB code 6ACK) and ACE2 (PDB code 1R42) were downloaded from the Protein Data Bank. |
| T46 |
122-180 |
Sentence |
denotes |
Also, the homology model for SARS-CoV-2 spike was assayed. |
| T47 |
181-236 |
Sentence |
denotes |
Protein preparation was carried out as described above. |
| T48 |
237-386 |
Sentence |
denotes |
Then, binding patterns and affinity estimations for the interaction between the viral spike and ACE2 receptor were performed using molecular docking. |
| T49 |
387-569 |
Sentence |
denotes |
This process was performed through two steps; first, a blind docking between ligand (spike protein) and receptor (ACE2) was performed using Z-dock software (Pierce et al., 2014[11]). |
| T50 |
570-693 |
Sentence |
denotes |
Then, the resulting docking data were processed and analyzed by using the tools of PRODIGY software (Xue et al., 2016[19]). |
| T51 |
694-814 |
Sentence |
denotes |
Finally, results were clustered and analyzed considering binding energies and main interacting residues in each complex. |
