service - SBDD


AI driven structure-based drug discovery

The Structure-Based Drug Discovery Solution(SBDD)is a holistic solution for early drug discovery with multiple product modules embedded and integrated into the SBDD Innovation Platform, which consists of three main lines.
● Large-scale virtual compound screening from identified targets for rapid discovery of promising compounds.
● Ligand-based drug discovery, which starts from existing drugs or active molecules, and uses molecular similarity to construct pharmacodynamic characteristic models for rapid discovery of active molecules.
● Reverse screening, starting from existing drugs or active molecules to predict potential targets.

AI driven structure-based drug discovery

SBDD Workflow

SBDD Workflow

Why choose ShuimuBio for SBDD?

● Supercomputing-powered in silico tools:
We can provide a complete set of computational structural biology services, including target structure analysis, virtual screening, molecular docking, ADMET properties prediction, molecular dynamics simulation and so on.
● Based on extensive Cryo-EM structural data:
Our team is a world leader in the research and application of cryo-electron microscopy technology, more and more complex protein structures are being resolved, which lays the foundation for SBDD.
● Private library:
(1)Self-built library of more than 600 million drug-forming molecules for computational chemical screening, significantly increasing the success rate of finding active molecules;
(2)self-built database of unique targets, including kinases, GPCR, ion channels, nuclear receptors, etc.
(3) Accept personalization of the database
● We have specialized laboratory resources in synthesis and biology, and provide services related to compound synthesis and activity testing

Why do you need SBDD Services?

● Compared to traditional drug discovery methods, SBDD technology enables faster, more cost-effective and efficient discovery of lead compounds.
● Predicting potential targets or identifying new uses for drugs from existing drug or active small molecule structures


  • E-mail:
  • Contact a Specialist: +1 (617) 5993866

Address | ShuimuBio HQ

F4, Bio² Innovation Center, Life Science Park,
Changping District, Beijing, PR China

Address | ShuimuBio CryoEM Center

B1, National Institute of Biological Sciences,
Changping District, Beijing, PR China

  • E-mail:
  • Contact a Specialist: +1 (617) 5993866

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