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 routine basis.
- 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.
Supported Platforms:
- Linux: The primary platform of the Suite, RedHat Enterprise v4.x 32bit and 64bit distributions are supported. The binaries should work on other Linux platforms as well.
- Mac OS X: All of the code is regularly tested and demonstrated in the Mac OS X environment. Preparation, execution, and analysis are all supported.
- Windows: Support for the preparation and analysis portions of the workflow are both supported for Windows7 in beta form. Jobs can be prepared on Windows using MOE, executed on Linux or Mac OS X using moebatch, and then analyzed on Windows using MOE.
Be sure to keep an eye on this section in the days and weeks to come as we continue to update the documentation based on client feedback, questions, and comments!