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Drug Discovery
Computational Biology & Molecular Modeling

In addition to the traditional biological research methods, Medicilon has developed faster and more effective tools. Using computers and big data to assist in early drug R&D, we reduce the workload of drug researchers, reduce the cost of drug development and shorten cycles of drug development.


  • Computational Biology and Molecular Modeling
    Structure-based drug design (SBDD)New drug designVirtual computer selectionQuantitative structure-activity relationshipAbsorption, distribution, metabolism, excretion and toxicity (ADMET) property optimization
  • Fragment-based drug design (FBDD)
    Molecular fragment library designed by Medicilon’s chemistsCentralized library based on corporate molecular fragment library and commercial molecular fragment libraryMolecular fragment selection based on X-rayNovel molecular skeleton according to crystal structures
  • Measurement of intermolecular interaction force (based on Biacore)
    Selection of antibodies and biological drugsSelection of chemical drugs, micromolecule drugs and natural drugsCharacterization of antibody biopharmaceuticalsCharacterization of chemical drugs, micromolecule drugs and natural drugs
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