Computer simulation of conformational change in biological molecules
A new method for modifying the course of a molecular dynamics computer simulation is presented. Digitally Filtered Molecular Dynamics (DFMD) applies the well-established theory of digital filters to molecular dynamics simulations, enabling atomic motion to be enhanced or suppressed in a selective ma...
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University of Southampton
2015
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| Online Access: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.390728 |