November 09, 2017
||University College London|
20 Gordon St, London, Bloomsbury, WC1H 0AJ, United Kingdom
|Complimentary continental breakfast and lunch will be provided.|
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Fragment-Based Drug Design
The course will focus on fragment-based drug design tools in MOE. Combinatorial fragment design and scaffold replacement in the receptor active site will be covered in detail, along with approaches for fragment linking and growing. A method for generating a series of closely related derivatives through medicinal chemistry transformations and the reaction based combinatorial builder will be presented. The use of pharmacophores and 2D/3D descriptors to guide drug design processes will also be discussed.
Cheminformatics and QSAR
The course will introduce cheminformatics applications using the MOE software. The topics covered include MOE
database manipulation, importing/exporting data to various formats (SDF, SMILES), molecular descriptor calculation,
data analysis and visualization, QSAR and binary-QSAR modeling, fingerprint-based similarity searching, clustering,
diverse subset selection and consensus modeling.
For questions, please contact:
Senior Marketing Manager