Target:Ligand Interaction Profiling

The linear scaling, quantum mechanics-based interaction energy (EINT) and its decomposition into its component pieces (ECT, EES, & Epol) comes packaged within the DivCon Discovery Suite and can be easily calculated at any point.

Interested readers are encouraged to read the literature on the subject.

Current licensees should see the manual under Interaction Energy Decomposition and may Contact Us for more information on its use.

Keep an eye on this page as we update it to include case studies, documentation, and further information.