University of Vienna
|Main focus of my work is the development of new protocols and algorithms for the computational de-novo design of artificial enzymes bearing novel functionalities. To this end, quantum chemical computations and bioinformatic approaches, such as evolutionary algorithms and machine learning, are combined in order to enhance and rationalize the computational enzyme design process.
The current target of my modelling endeavours is the design of an enzyme for the ring-closing olefin metathesis of diallylether.
|M. Gastegger, “De-novo enzyme design for olefin metathesis”, Master Thesis, advisor Prof. Dr. Leticia González, University of Vienna, 2013|