| Id |
Subject |
Object |
Predicate |
Lexical cue |
| T85 |
0-4 |
Sentence |
denotes |
3.1. |
| T86 |
5-26 |
Sentence |
denotes |
Computational Methods |
| T87 |
27-258 |
Sentence |
denotes |
Vitual screening on the DrugBank [23] was carried out using the Molecular Operating Environment (MOE) program [28], using four common points of the BK B1 and B2 pharmacophores described previously [25,26] that were used as a query. |
| T88 |
259-422 |
Sentence |
denotes |
Previously, a 3D DrugBank database containing the 3D structure, together with a set of conformations of each molecule, was constructed as explained elsewhere [24]. |
| T89 |
423-554 |
Sentence |
denotes |
Virtual screening was carried out on the subset of molecules with molecular weight between 200 and 600 (a total of 1703 molecules). |
| T90 |
555-830 |
Sentence |
denotes |
Hits identified in the screening process were docked in the 3D models of the B1 and B2 bradykinin receptors, using a set of unique conformations resulting from thorough conformational searches for the diverse ligands studied and rank ordered by means of the MOE program [28]. |
