Computer-Aided Drug Design Applications
There is a continuous effort to combine computational power to the chemical and biological space in order to streamline drug discovery, design, development, and optimization. Computer aided or in silico drug design can help expedite and enable hit identification, hit-to-lead, and optimize ADME and toxicology profiles as well as anticipate any safety issues.
Collaborating with Charles River’s Computer-Aided Drug Design (CADD) group puts leading informatics, virtual screening, and molecular modeling expertise at your fingertips. Our highly experienced team works closely with our colleagues in medicinal chemistry, screening, and structural biology to support projects and also plays a leading role in the design of our fragment and SoftFocus® libraries. Our CADD capabilities are available as part of integrated hit identification, hit expansion, hit-to-lead, and lead optimization programs or as a stand-alone offering.
Skills and Expertise
- Structure-based drug design
- Ligand-based drug design
- Virtual screening
- Protein modeling
- QSAR modeling
- Screening library design and subset selection
- Design of fragment and SoftFocus® libraries
- HTS data triage
- Chemo- and bio-informatics
Why work with us?
- Industry-standard software and hardware
- Proprietary design concepts and tools
- Highly experienced scientists
- Strong track record of success
- Tight integration with allied disciplines