Computational studies of mechanisms, spectra and conformations in biological systems
This thesis represents computational studies of the mechanisms of chlorination in the FAD-dependent enzyme PrnA using QM, MD and QM/MM methods. It also contains Time-Dependent Density Functional Theory (TDDFT) spectra and conformational analysis of the fluoro-imine derivatives of pyridoxal 5’-phosph...
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University of Glasgow
2012
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.548147 |