July 02, 2015
||St Johns Innovation Centre|
Cowley Road, Cambridge, CB4 0WS, UK
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Analyzing and Optimizing Protein-Protein Interactions
The course covers tools in MOE for analyzing protein-protein interactions, such as molecular surfaces and non-bonded contact visualization in 3D and using 2D interaction diagrams. Examples include calculating surface properties such as electrostatic hot-spots or patches, as well as physicochemical properties such as the isoelectric focusing point and zeta potential. The effect of mutations on protein-protein interactions generated through the protein engineering applications will also be explored.
Protein Homology Modeling
The course covers protein alignments and homology modeling in MOE. The homology modeling section covers the complete sequence to structure workflow, including template searching, query alignment, adjustment of the alignment between the sequence and the template, homology model building and refinement, along with applications for assessing model quality. It uses the project search panel to explore kinase structures, and builds a model of the hERG channel, a transmembrane protein.
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