MOE/DivCon GUI

MOE/DivCon GUI is an integration interface that joins the QBLib with the powerful Molecular Operating Environment (MOE) from the Chemical Computing Group (CCG), creating a technological innovation for protein/ligand scoring (energetically favorable), featuring QM, PWD, and NMR Scores.

The integration provides a unique tool for accuarate quantum mechanical data to be calculated using QuantumBio's proprietary toolkit and visually displayed through the MOE database. Obtained data from the MOE/DivCon GUI is comparative to other techniques users accomplish in MOE. QuantumBio's interface makes setting up calculations easy and straightforward.

The advantages of using the MOE/DivCon GUI interface include:

• Easier running the major QBlib Applications including: QM Score, NMR Score, and SE-COMBINE.

• Linear scaling, semiemprirical QM results available within the familiar GUI environment.

• Organize and analyze data quickly using the statistical and visualization tools available within the MOE platform.

• User-friendly structure preparation using Protonate3D, molecular mechanics minimization, docking, and structure analysis.

Full analysis technical information also includes Structure Activity Relationships, Partial Least Squares Regression, Interaction Maps, Experimental versus Calculated Activities Tables and Graphs, and Optimal Number of Latent Variables.

For technical information on QuantumBio's MOE/DivCon GUI, please view the MOE/DivCon GUI Specifications Fact Sheet. (Coming Soon)