January 15, 2015
||Bryn Mawr College|
Computer Science Lab, 101 N. Merion Ave., Bryn Mawr, PA, 19010, United States
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Analyzing and Rationalizing 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.
Computer-Aided Biologics Design and Protein Engineering
The course covers protein and biologics applications in MOE, including fusion protein and antibody modeling. Knowledge based and de novo methods for loop building and conformational sampling will be demonstrated. The protein engineering applications in MOE will be explored, in particular to show how changes to a protein sequence can affect its affinity, stability and aggregation propensity. Examples will cover predicting the effect of point mutations on the strength of antibody-antigen interactions.
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