@article{10d71464c9694fe29a8fb3f2379079ca,
title = "Transport properties of water at functionalized molecular interfaces",
abstract = "Understanding transport properties of solvent such as diffusion and viscosity at interfaces with biomacromolecules and hard materials is of fundamental importance to both biology and biotechnology. Our study utilizes equilibrium molecular dynamics simulations to calculate solvent transport properties at a model peptide and microarray surface. Both diffusion and selected components of viscosity are considered. Solvent diffusion is found to be affected near the peptide and surface. The stress-stress correlation function of solvent near the hard surface exhibits long time memory. Both diffusion and viscosity are shown to be closely correlated with the density distribution function of water along the microarray surface.",
author = "Jun Feng and Wong, {Ka Yiu} and Kippi Dyer and Pettitt, {B. Montgomery}",
note = "Funding Information: B.M.P. thanks Professor B. D. Todd for stimulating conversations. We gratefully thank the National Institutes of Health (GM066813) and the Robert A Welch Foundation (E-1028) for partial financial support of this work. This research was supported in part by the National Science Foundation through TeraGrid resources provided by the Pittsburgh Supercomputing Center (Bigben) and the San Diego Supercomputer Center (Datastar). These calculations were performed in part using the Molecular Science Computing Facility (MSCF) in the William R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the U.S. Department of Energy Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory, operated for the Department of Energy by Battelle.",
year = "2009",
doi = "10.1063/1.3224122",
language = "English (US)",
volume = "131",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "12",
}