August 24, 2016
||Pennsylvania Convention Center|
1101 Arch St, Philadelphia (Room 303), Philadelphia, PA, 19104, United States
|Please note that registration for the ACS Fall 2016 Meeting is required in order to have access to the workshop.|
This event has already passed.
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.
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