Computational Studies of Metalloenzymes
Enzymes are involved in most reactions in nature. They are important both for the understanding of biological life and for reactions of industrial interest, e.g. in the production of artificial fertilizers, the production of biomass or biofuels. Enzymes with one or several metal ions are called metalloenzymes. In this thesis we study three different metalloenzymes, nitrogenase, lytic polysaccharid
