Incorporating molecular flexibility and conformational variability into crystal structure prediction
The ability to predict the properties of a crystal structure before any empirical analysis or laboratory work has commenced offers the opportunity for vast reductions in research and development costs for new products. This research focuses on a novel methodology to incorporate molecular exibility i...
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University of Southampton
2017
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| Online Access: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.722957 |