Molecular Perspectives on the Enzymes' Behaviour in Cholinium Aminoate Ionic Liquids

The computational approaches offer a fundamental understanding of the molecular dynamics of enzymes within ionic liquid (IL) systems, shedding light on their behaviour and interactions with neighbouring molecules. Such insights can comprehensively elucidate experimental findings, and these pieces of knowledge could be beneficial to the design of IL for enzyme applications. This thesis examined the effects of cholinium aminoate ILs on the catalytic performance of fungal enzymes with experimental and computational methods. The outcome of this thesis has concluded that the anionic species of IL is the key element in dictating the catalytic activity of the enzymes.