CADD is an important method for new drug research. Based on computational chemistry, it can design and optimize lead compounds through computer simulation, calculation and prediction of the relationship between drugs and receptors. CADD mainly includes active site analysis, database search and De novo design.
Wecomput provides professional computer-aided drug design services, including:
【Drug Design】
- Molecular Dynamics (MD)
- Homology Modeling
- Structure-based Drug Design
- Fragment-based Drug Design
- De novo Design
- Multiple Targeting Design
- Scaffold Replacement
- Combinatorial Library
- QSAR
【Virtual Screening】
- High Throughput and High Accuracy Molecular Docking
- Shape-based Similarity calculation
- Ligand or Receptor-based Pharmacophore Modeling and Screening
- Target Fishing