GEMDOCKand SiMMap: Drug Discovery

The total number of citations for "drug discovery" papers, GEMDOCK and its applications, was over 150.

Based on the ability and flexibility of GEMDOCK, we have successfully cooperated over seven Labs, such as NHRI, Prof Hsu TA (Inhibitors of avian influenza virus neuraminidases); Prof. Wang WC (Inhibitors of helicobacter pylori shikimate kinase), Prof MAO JT (secondary vitamin D3 binding site of milk beta-lactoglobulin); Prof. Yang YS (Substrates of sulfotransferase and hydantoinase); Prof. Yuan CJ (Substrates of amine oxidase); Prof. Yang YL (Inhibitors of envelop protein of dengue virus); and Prof. Liao KW (peptide-binding motifs of MHC class I). We also cooperated with Prof. Hsu on data fusion for virtual screening.


  • GEMDOCK: Protein-Ligand Docking / Virtual Drug Screening / Computer-aided Drug Design (QSAR/Toxicity prediction)

  • DAPID: Protein-Protein (Protein-DNA) Interaction/Docking & Pathway / Domain Annotated Protein-protein Interaction Database