Computer Aided Drug Design
Established in 2006, the Computer-Aided Drug Design (CADD) group has successfully supported many of our clients’ medicinal chemistry projects as well as standalone computational chemistry projects. The leaders of this group have a combination of over 50 years of pharmaceutical industry experience, which notably distinguishes us from other CROs. Equipped with cutting-edge modeling and cheminformatics tools, as well as sophisticated computing clusters and 3D graphics capabilities, the CADD group is capable of performing full-spectrum computational chemistry analysis for variant drug discovery projects.
ChemPartner computational chemistry services provided:
- Structure-based drug design including molecular docking, virtual screening, core hopping, de novo design, homology modeling, conformational analysis and QM calculation
- Ligand-based drug design including pharmacophore modeling, QSAR analysis, similarity search/clustering, R-group decomposition, matched pair analysis and potency cliff analysis
- Physicochemical prediction, focused/combinatorial library design
- Expert consultancy in computational chemistry
- On-site work within Shanghai and San Francisco Bay area
ChemPartner CADD group experiences:
- Combinattion of >50 years pharmaceutical industry experience
- Contributions to >70 publications
- Inventorship on >20 patents
- Successful delivery ofdrug candidates to clinical trials
ChemPartner computational chemistry tools:
- PyMOL
- Schrödinger Drug Discovery Suite
- CCG MOE
- Dotmatics Vortex
- ChemAxon JChem Suite
