- Docking Simulation 135
(a)(b)(c)Figure 4. Subset listing of ZINC database (a) by catalog, (b) by property and (c) subset
information page. Black box: script for subset database downloading.
III. After finding the subset which fits your needs, you may download them
according to the instruction on the page (Fig. 4(c)). To download the
subset, use the download script provided in the page.
We recommended downloading those subsets in SDF or MOL2
format.
- Get ligand database from DrugBank
Here we will guide you to fetch pre-defined ligand database from DrugBank
(Fig. 5).9–12