Large-scale parallelised boundary element method electrostatics for biomolecular simulation

Large-scale biomolecular simulations require a model of particle interactions capable of incorporating the behaviour of large numbers of particles over relatively long timescales. If water is modelled as a continuous medium then the most important intermolecular forces between biomolecules can be mo...

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Bibliographic Details
Main Author: Fallaize, D. R.
Published: University College London (University of London) 2012
Subjects:
570
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.565829