Class: Computational Methods for Chemical Biology/Drug Discovery

I’m teaching a class on computational methods for chemical biology and drug discovery today. Here are the relevant links:

1. ZINC chemical-properties search (https://goo.gl/Clp4ud)
2. PubChem Tanimoto search (https://goo.gl/22FmGu)
3. DrugBank (to get the structure of a drug that interests you: http://drugbank.ca)
4. PubChem substructure search (https://goo.gl/g1Hlvk)
5. PubChem 3D search (https://goo.gl/YQksMW)
6. Protein Data Bank (http://www.rcsb.org/)