Interactive drug-design : using advanced computing to evaluate the induced fit effect
This thesis describes the efforts made to provide protein flexibility in a molecular modelling software application, which prior to this work, was operating using rigid proteins and semi flexible ligands. Protein flexibility during molecular modelling simulations is a non-‐trivial task requiring a...
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Cardiff University
2013
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.611013 |