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In silico screening
We offer a selection of in silico screening solutions that can be applied to all stages of a drug discovery program using advanced computational methods such as:
- High-throughput virtual docking of physical and virtual compound collections into enzyme and receptor active sites
- 2D and 3D similarity and pharmacophore searching
- Chemoinformatic techniques including chemical complementarity analysis with known active compounds
- In silico ADME screening for the required compound profile
We are able to design focused screening sets by combining the appropriate complementary approaches. Large enumerated virtual libraries or virtual screening sets can be generated using proprietary methods, thereby ensuring optimal balance between chemical diversity and compounds prioritized using target or ligand specific knowledge. The resulting hits can be expanded into larger sets using similarity searching and clustering.
If you would like to know more about our services, discuss specific research, or receive a quotation, please contact us.
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