• Core technologies
  • Featured technologies
  • Platforms and use cases
  • Conformational selection, your ideal choice for molecular design

    01
    02

    A new theory for drug design:
    Drug design: from a structure-based approach to a conformation-based approach

    A new theory for drug design: conformational selection

    Drug design based on the conformational selection theory is more accurate in reflecting the nature of macromolecular targets and how they are regulated.

    HPC for molecular simulation

    We calculate the conformational changes of targets/drugs and their physicochemical interactions using today’s powerful high-performance computers. 

    Using AI to capture protein dynamics

    Our AI platform allows us to design new drugs based on dynamic conformations obtained from big data, to refine predictions through molecular simulation, and to better understand the dynamics of atoms, molecules, functional domains and their associations.


    Our two engines: molecular simulation + artificial intelligence

    The selection of the dynamic conformations of receptors and ligands

    Dual allosteric effect of biologics

    Designing and predicting drugs quickly and accurately using AI

    The efficient design and regulation of conformational selection for polypeptides

    The design and optimization of therapeutic antibodies

    Core competences

    A new theory
    for drug design

    Drug design: from a structure-based approach to a conformation-based approach.

    HPC for molecular simulation

    We calculate the conformational changes of targets/drugs and their physicochemical interactions using today’s powerful high-performance computers.

    A rigorous design approach

    Our design approach has been calibrated and validated by wet lab experiments. We use AI to predict the properties of molecules such as their druggability and affinity.

    Academic excellence

    Our founder Dr. Buyong MA is a renowned scientist in computational biology. He proposed the conformational selection theory. He is a leader in studying antigens and antibody structures for neurodegenerative diseases.