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...
Main Author: | |
---|---|
Published: |
University College London (University of London)
2012
|
Subjects: | |
Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.565829 |