MOE Workshop Series

North America

BOSTON Area
April 12, 2018

Location: Le Méridien Cambridge-MIT
20 Sidney Street, Cambridge, MA, 02139, 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 Ligand-Based Drug Design and SAR Analysis
12:30 to 13:30 Lunch
13:30 to 17:00 Advanced Structure-Based Drug Design

Your registration will be confirmed.



 Ligand-Based Drug Design and SAR Analysis
The course covers essential in silico methods needed for guiding drug discovery projects in the absence of a protein structure. Analysis of SAR through R-group profiling and matched molecular pairs (MMP) analysis using MOEsaic to determine relationships among a chemical series are examined. Molecular descriptor calculations and their application for determining property correlations along with diversity analysis are described. Molecular alignments and conformational analyses of a congeneric series are explored to assess the impact of ligand substituents. An approach for developing pharmacophore queries is discussed. Management and manipulation of MOE databases are also covered.

 Advanced Structure-Based Drug Design
The course describes advanced SBDD workflows in drug discovery projects and encompasses a range of topics from pharmacophore 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).


For questions, please contact:
Raul Alvarez
Senior Marketing Manager