Theoretical studies of interactions of transition metal anticancer complexes with DNA
Density functional theory (DFT) and combined quantum mechanics/molecular mechanics (QM/MM) calculations have been used to model inter- and intra-molecular non-covalent interactions of transition metal complexes and where applicable their interactions with DNA. Two DFT functionals, BHandH and B97-D,...
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Cardiff University
2013
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.571730 |