MOE Workshop Series

Europe

OXFORDSHIRE
September 26, 2017

Location: Milton Park Innovation Centre
99 Park Drive, Milton Park, Abingdon, OX14 4RY, United Kingdom
MAP


Registration

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

09:00 to 12:30 Structure-Based Drug Design and Ligand Modification
12:30 to 13:30 Lunch
13:30 to 17:00 Biologics: Protein Alignments, Modeling and Docking

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.

 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