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Computer Modelling and Simulations of Enzymes and their Mechanisms

Alonso, Hernan


Although the tremendous catalytic power of enzymes is widely recognized, their exact mechanisms of action are still a source of debate. In order to elucidate the origin of their power, it is necessary to look at individual residues and atoms, and establish their contribution to ligand binding, activation, and reaction. Given the present limitations of experimental techniques, only computational tools allow for such detailed analysis. During my PhD studies I have applied a variety of...[Show more]

CollectionsOpen Access Theses
Date published: 2006
Type: Thesis (PhD)
DOI: 10.25911/5d7a2c354ae4c
Access Rights: Open Access


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