MOE Workshop Series


December 08, 2017

Location: St Johns Innovation Centre
Cowley Road, Cambridge, CB4 0WS, United Kingdom


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  I would like to use my own laptop during the workshop(s).

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

09:00 to 12:30 Ligand-Based Drug Design and SAR Analysis
12:30 to 13:30 Lunch
13:30 to 17:00 Peptide Modeling, Conformational Searching and Docking

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 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.

 Peptide Modeling, Conformational Searching and Docking
The course covers methods for analyzing and optimizing peptide-protein interactions in the active site. Topics related to peptide-protein structure preparation, peptide sequence optimization using natural and non-natural acids and conformational analysis will be discussed. Peptide-protein docking and protein-ligand interactions to analyze contact points will be described. The course will also cover advanced conformational searching using distance restraints.

For questions, please contact:
Raul Alvarez
Senior Marketing Manager