UGM & Conference in North America

Optimizing Protein Properties in the Cloud with MOE

Essam Metwally
Senior Scientist, Chemical Computing Group
(FRIDAY, June 23 - Scientific Presentations, 14:00-14:30)

Protein-display systems, such as phage-display, have demonstrated the power of simultaneously examining: stability; the ability to bind to a target; and the impact of site-specific mutations. Unfortunately, traditional approaches to computer aided molecular design are often intractable and unable to prospectively suggest viable mutations due to the sheer size of the available mutations space. Leveraging the power MOE deployed in a cloud environment, we present a Virtual Phage Display approach which is able to produce predictive models for both thermostability and solubility in under an hour. This MOE-based methodology coupled with the power of the cloud allows modeling to be a prospective exercise, informing and influencing projects from the outset, before time and effort are expended at the bench.


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