Computational study of the structure-function relationship of an artificial Friedel-Crafts alkylase

Conference Dates

September 15-19, 2019


Artificial Metalloenzymes (ArMs) have emerged as an attractive approach to perform new-to-nature reactions by combining homogeneous and enzymatic catalysis. Although several advances in the field have been achieved, finding novel or improved activities by chemically modifying the protein host remains a challenge. In this regard, the lack of knowledge about how these changes can alter the structure/dynamics of the artificial enzyme is among the major limitations for obtaining the desired catalytic outcomes.

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