MOE Workshop Series

Europe

BASEL
April 04, 2017

Location: Ramada Plaza Hotel Basel
Messeplatz 12, Basel, CH-4058, Switzerland
MAP


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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 Biologics: Protein Alignments, Modeling and Docking

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.

 Biologics: Protein Alignments, Modeling and Docking
The course covers methods for aligning protein sequences, superposing structures, homology modeling fusion proteins and conducting protein-protein docking. In particular, an approach for aligning and superposing multiple structures will be described for determining structural and surface protein variations in relation to protein property modulation. A method for grafting and refining antibody CDR loops as well as using a knowledge-based approach to scFv fusion protein modeling using the MOE linker application will be described. An approach to generate homology models of a murine antigen structure from a human template as well as protein-protein docking of an antibody to an antigen will be discussed. A QSAR model for predicting and analyzing protein/biologics solubility will be described.


For questions, please contact:
Raul Alvarez
Senior Marketing Manager