Rational prediction of distal activity-enhancement mutations 

Allostery is a central mechanism for the regulation of multi-enzyme complexes. The mechanistic basis that drives allosteric regulation is poorly understood but harbors key information for enzyme engineering. In this talk, our new computational tools based on inter-residue correlations from microsecond time-scale Molecular Dynamics (MD) simulations and enhanced sampling techniques…

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Anca Proda

Keywords: Enzyme engineering,  Biocatalysis, Artificial metalloenzymes, Chemo-enzymatic catalysis, Thermostability Expertise: My group has expertise in the design and engineering of enzymes with an expanded reaction scope, beyond what they have naturally evolved to catalyse. We apply genetic and chemical protein modification techniques, in order to modify the functionality of enzymes.…

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