High-Throughput Molecular Docking Services in Bangalore, India

Our important theoretical models and corresponding docking methods including:

  • Lock-and-key model, Rigid docking.
  • Induced fit model, flexible docking and semi-flexible docking.
  • Conformation ensemble model, ensemble docking.
Process of the analysis and docking service
  • Structure preparation before docking, including: receptor structure and small molecule compound (library);
  • Molecular docking calculation, including: conformation search and scoring evaluation;
  • Results analysis, including: docking conformation or seedling compound selection, binding mode analysis, scoring situation and force analysis; etc.
High-throughput virtual screening

Identifying small molecules with potential activity from the chemical database will save experimental costs and significantly improves the hit rate.

If circumstances permit, we must verify the consistency of the integrated conformation of the docking software, i.e., conduct re-dock or self-dock; for high-throughput virtual screening. Further, we must evaluate the screening performance, particularly enrichment rate and quality of fit. Only through rigorous and scientific processing can we ensure that the simple docking process will get accurate calculation results. 

Related Services

BioNome has already been working in this field to establish a standard, and their observations and discoveries have been presented in prominent scientific journals.