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MED-SuMo and MED-Hybridise: exploit all PDB macromolecule structures to design/optimize innovative leads
Obtaining structural information on fragment-protein target is a key factor and also a major limitation. We’ve used MED-SuMo and MED-Hybridise to query and mine the PDB seeking for similar interaction surfaces. MED-portions were used to design novel scaffolds (GPCR) and decorate a given scaffold (kinase). We have analysed the scaffolds in regard to their diversity, their presence in PubChem, PDB and other libraries.

Date Posted: 25/11/2008
ePosters.net Ref: EP


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