MED-Hybridise
A new high speed and accurate approach of structure based drug design is offered to molecular modelers and medicinal chemists
Design and optimise lead compounds
MEDIT's innovative computational fragment-based drug design protocol generates chemical compounds by exploiting the Protein Data Bank (PBD) and the chemical supplier fragment databases. Annotated fragments of PDB ligands (MED-Portions) are positioned with MED-SuMo in 3D in a binding site and hybridised with MED-Hybridise. Leads are discovered and optimised by hybridisation of MED-Portion chemical moities. Binding sites are populated with molecules through this de novo design protocol.
Working with MED-Hybridise is simple
See how the Graphical User Interface looks and feels. Visit the screenshot gallery >>
Interested in MED-Hybridise integration in your current solution? Visit the integration page
MED-Hybridise brochure MED-Hybridise applications
Apply it to any 3D structure: GPCR, protein kinases, phosphatase, protein-protein interactions >> Design and optimize lead >> Find purchaseable molecules from suppliers >> Scaffold hopping
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