MOE Workshop Series

North America

PHILADELPHIA Area
January 18, 2018

Location: Sheraton Valley Forge
480 North Gulph Road, King of Prussia, PA, 19406, United States
MAP
Complimentary continental breakfast and lunch will be provided.

Registration

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Comments:
  I would like to use my own laptop during the workshop(s).
  I would like to have access to the MOE scientific software before the workshop(s).

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Please check the session(s) that you would like to attend:

08:30 to 09:00 Morning Coffee
09:00 to 12:30 Structure-Based Drug Design and Ligand Modification
12:30 to 13:30 Lunch
13:30 to 17:00 Small Molecule Virtual Screening

Your registration will be confirmed.



 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.

 Small Molecule Virtual Screening
The course covers the suite of MOE applications which can be applied to small-molecule virtual screening. Topics include the preparation of small molecule databases for virtual screening, filtering databases based on substructure matching and property values, building QSAR/QSPR models and fingerprint similarity models as database filters, pharmacophore query creation and searching, and small-molecule docking. These tools are used in conjunction to present a complete virtual screening workflow. The creation of de novo structures using the MOE Scaffold Replacement and MOE Medchem transformation applications is also covered.


For questions, please contact:
Raul Alvarez
Senior Marketing Manager