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Conférence CRCT : Dr David Simoncini, IRIT Toulouse : Computational protein design with optimality guarantees: features and applications
octobre 2 @ 11:00 - 12:00
Computational Protein Design (CPD) aims at finding a sequence of amino acids which folds into a target three-dimensional protein structure. CPD can be used to engineer artificial proteins with biochemical properties of interest for a variety of health or environment related applications. The CPD framework jointly developed between INRAE Toulouse, TBI, and IRIT recently led to successes in antibody design, symmetrical assemblies design and ancestral protein resurrection. These successes are the result of fruitful collaborations with researchers in Biochemistry and Biology, whose feedback was crucial in order to refine our computational model. In this talk, I will present the various features of our computational framework. These features include learning and reasoning on evolutionary information, preventing the formation of hydrophobic patches on the surface of proteins, and taking into account multiple protein conformations. I will show some experimentally validated results, and present perspectives and potential future applications that our CPD framework can offer.