SAN FRANCISCO area
November 09, 2016
||Seaport Conference Center|
459 Seaport Ct., Redwood City, CA, 94063, United States
|Complimentary continental breakfast and lunch will be provided.|
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Structure-Based Drug Design and Ligand Modification
The course covers MOE applications for interactive structure based design. Examples include active site visualization, protein-ligand contact analysis and ligand modification/optimization in the receptor pocket. Conformational searching and analysis of the ligand to assess ligand flexibility will be discussed. A protocol for aligning and superposing protein complexes in the context of protein selectivity will be studied.
Advanced Structure-Based Drug Design
The course describes advanced SBDD workflows in drug discovery projects and encompasses a range of topics from phamacophore query generation to protein-ligand interaction fingerprints. More specifically, the course will cover the application of pharmacophores in the context of protein-ligand docking, scaffold replacement and R-group screening. A method for querying a 3D project database will also be presented along with the generation and analysis of protein-
ligand interaction fingerprints (PLIF).
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