From: iDrug: a web-accessible and interactive drug discovery and design platform
Name | Method | Refs | Free for academia |
---|---|---|---|
Cavtiy | Detect and score potential binding sites of a protein | [8, 33] | Yes |
Pocket v.2 | Derive pharmacophore models based on a given receptor of complex structure | [21] | Yes |
PharmMapper | Pharmacophore mapping (online web service) | [22] | Yes |
SHAFTS | 3D similarity calculation | [7, 23] | Yes |
Cyndi | Molecular conformation generation | [38, 39] | Yes |
Pybel | Python wrapper for the OpenBabel cheminformatics toolkit | [25, 26] | Yes |