My talk will describe our recent theoretical developments in methods and models in quantifying protein statistical and dynamical motions, and electric fields and the importance of the scaffold, and their influence on catalytic performance of <i>de novo</i> enzymes. We discuss the possibility of using these computational approaches for the early stages of enzyme design.<br/>

Statistical fluctuations, dynamics, scaffolds, electric fields, and de novo enzyme catalysis

254th National Meeting (2017)

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