August 23, 2017
||Washington DC Convention Center|
801 Mt Vernon Pl NW, Washington, DC, 20001, United States
|Please note that registration for the ACS Fall 2017 Meeting is required in order to have access to the workshop.|
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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