MOE Workshop Series

Europe

Cambridge
December 01, 2015

Location: Royal Society of Chemistry, Burlington House
RSC's Chemistry Centre, Burlington House, Piccadilly, London, W1J 0BA, UK
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 Inhibitor Design Using MOE SBDD Applications
This hands-on course covers the application of in silico structure based drug design (SBDD) tools for the rational design of Tarceva-based EGFR kinase inhibitors. Starting with raw PDB protein-ligand 3D structures, all the steps required to initiate and advance an SBDD study are covered: preparing PDB structures for modelling, binding pocket visualization, protein-ligand contact analysis and the use of SAR for in situ modelling (modifying and optimizing ligands in the binding pocket) to design new compounds. Advanced topics such as pharmacophore query generation, protein-ligand docking, protein alignments for binding site comparison and in situ combinatorial synthesis will also be covered.


For questions, please contact:
Raul Alvarez
Senior Marketing Manager