Welcome to QuantumBio!

The electron density 2Fo-Fc around the ligand in the structure PDBid:1MRL re-refined with QuantumBio's X-ray refinement protocol (green) and superimposed with the original PDB ligand (yellow).

The ligand in the structure PDBid:1MRL re-refined with QuantumBio's X-ray refinement protocol (green) and superimposed with the original PDB ligand (yellow).

QuantumBio offers the DivCon Discovery Suite product line, providing solutions to achieve high accuracy, performance, and versatility for chemical characterization in drug discovery and development. The DivCon Discovery Suite is built on cutting-edge technology that utilizes precise quantum mechanical algorithms in a user-friendly format, providing the opportunity for faster results and reduced costs.

QuantumBio offers the following lead optimization capabilities for your drug discovery investment:


  • Use QM based Scoring Function to predict protein-ligand binding affinities on a daily basis.

  • Build computational expensive QM descriptors for QSAR & ADME/Tox Models.

  • Study protein-ligand complexes containing metals.

  • Predict ligand-induced NMR (Nuclear Magnetic Resonance) Chemical Shift Perturbation on protein.

  • Study large biomolecules of 500 or 15,000 atoms with QM.

  • Understand the Pair-Wise, atom-by-atom, Energy Decomposition of protein-ligand complex interaction.

  • Improve QSAR (Quantitative Structure-Activity Relationships) understanding with SemiEmpirical COMparative Binding Energy analysis (SE-COMBINE).

  • Leverage the accuracy and speed of divide & conquer linear-scaling QM.