Water conduction through the hydrophobic channel of a carbon nanotube

By Gerhard Hummer, J. Rasaiah, J. Noworyta. Nature, 2001

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Scalable molecular dynamics with NAMD (2005, background): “Cumulant expansions [76,79,62,41] are an effective approximation for the exponential average; since the lower-order terms of the expansion are less influenced by statistical error, the systematic error introduced by truncating the higher order terms may be considerably smaller than the statistical…”
Fluid flow in carbon nanotubes and nanopipes. (2007, background): “The choice of intermolecular potential determines whether a model nanotube can be filled with wate”
Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. (2006, background): “25,29 A number of concepts that are clearly related to the proposals in the present paper have emerged from this work: evacuation of water (dewetting), under the appropriate conditions, from regions between two predominantly hydrophobic surfaces 1,2,9 and a model for the curvature dependence of the…”