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Table 1 List of computational techniques supported by i Drug

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