Wednesday, April 23, 2014

Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model




Nanoscale , 2014, 6,5438-5448

DOI: 10.1039/C4NR00468J, Paper

Zak E. Hughes, Susana M. Tomasio, Tiffany R. Walsh

Simulations of the aqueous interface between graphitic nanostructures and biomolecules are efficiently realised via the polarisable GRAPPA model.

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