Computational chemistry technology mainly provides computational guidance and assistance for small molecule chemical drug design. Computational chemistry can provide simulation analysis from target analysis, high-throughput screening analysis, hits discovery, lead compound discovery and lead compound optimization to druggability prediction. The team consists of several computational chemists with pharmaceutical experience, using various advanced computational chemistry tools to complete the one-stop service of design, screening and optimization of compounds.
Virtual screening Process：
Shape Screening/Pharmacophore models：
Computational biology technology provides computational guidance and assistance for the design of biological macromolecular drugs, such as peptides, protein drugs, nucleic acid drugs and antibodies. Based on the structure, computational tools can predict the binding between macromolecules and targets and help design and retrofit macromolecular drugs. For antibody drugs, computational tools can serve for antibody humanization, affinity maturation, and property prediction, greatly reducing the cost of antibody design in traditional laboratories and shortening the development time.
Antibody humanization workflow：