| Id |
Subject |
Object |
Predicate |
Lexical cue |
| T69 |
0-165 |
Sentence |
denotes |
The library of ligands was downloaded from DrugBank (Wishart et al., 2018) and the coordinate files were prepared and optimized using LigPrep module (Release, 2017). |
| T70 |
166-315 |
Sentence |
denotes |
The energy minimization of ligand structures was carried using OPLS 2005 force field and ionization states were generated at pH 7.0 ± 2.0 using Epik. |
| T71 |
316-458 |
Sentence |
denotes |
This generated an output file with various stereoisomers and tautomeric conformers of each ligand producing chemical and structural diversity. |
