Computer Aided Drug Design
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
- Service Overview
- Discovery Chemistry
- Biology & Pharmacology
- DMPK / Exploratory Toxicology
- Biologics Discovery
- Biologics CMC
- Small Molecule CMC