Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model
Author:
Affiliation:
1. Institute for Frontier Materials
2. Deakin University
3. Geelong, Australia
4. Department of Chemistry and Centre for Scientific Computing
5. University of Warwick
6. Coventry, UK
Abstract
Simulations of the aqueous interface between graphitic nanostructures and biomolecules are efficiently realised via the polarisable GRAPPA model.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Materials Science
Link
http://pubs.rsc.org/en/content/articlepdf/2014/NR/C4NR00468J
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