Manual: DivCon Discovery Suite

Manual: DivCon Discovery Suite

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:

  • Quantum mechanics-driven X-ray refinement using the Phenix platform.
  • Use QM based interaction energy calculations to predict protein-ligand binding affinities.
  • Study protein-ligand complexes (even those 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 PairWise Energy Decomposition of protein-ligand complex interaction.
  • Leverage the accuracy and speed of divide & conquer linear-scaling QM to study the whole structure quantum mechanically, or use ONIOM to focus on just the piece(s) you desire.

Supported Platforms:

  • 64 bit Linux: RedHat Enterprise5.x+ and CentOS5+ 64bit distributions are the primary distributions. The binaries should work on other modern, 64bit Linux distributions as well.
  • 64 bit Mac OS X 10.13 and later.

Manual Contents

Additional Resources

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