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 ChemPartner from other CROs.
Equipped with cutting-edge modeling and cheminformatics tools, as well as sophisticated computing clusters and 3D graphics capabilities, ChemPartner’s CADD group is capable of performing full-spectrum computational chemistry analysis for variant drug discovery projects.
ChemPartner Computational Chemistry Services
- 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 in Shanghai and San Francisco
ChemPartner CADD Team Experiences
- Combination of 50+ years pharmaceutical industry experience
- Contributions to 70+ publications
- Inventorship on 20+ patents
- Successful delivery of drug candidates to clinical trials
ChemPartner Computational Chemistry Tools
- PyMOL
- Schrödinger Drug Discovery Suite
- CCG MOE
- Dotmatics Vortex
- ChemAxon JChem Suite
- Cresset SPARK