Medicilon offers rational drug design services including structure-based drug design and ligand-based drug design either as a stand-alone service, or part of an integrated platform service. Based on the knowledge of structural information of targets, ligand-receptor recognition, specificity, pathology and physiology etc., we can perform:  

1. Discovering hits against targets by screening virtual library with thousands or millions of compounds, which will avoid the expense of large-scale HTS.
2. Optimizing lead compounds with rational methods including structural analyses, homology modeling, structure-based SAR, dock/post-docking analyses, focused library design, fragment exploration, pharmacophore modeling and QSAR.
3. ADME/T property optimization.
4. De novo design based on structures.

With the collaboration between chemistry, biology and CADD groups, CADD will accelerate drug discovery and development in Shanghai Medicilon.