128 research outputs found
Hydrogen Bond Dynamics Near A Micellar Surface: Origin of the Universal Slow Relaxation at Complex Aqueous Interfaces
The dynamics of hydrogen bonds among water molecules themselves and with the
polar head groups (PHG) at a micellar surface have been investigated by long
molecular dynamics simulations. The lifetime of the hydrogen bond between a PHG
and a water molecule is found to be much longer than that between any two water
molecules, and is likely to be a general feature of hydrophilic surfaces of
organized assemblies. Analyses of individual water trajectories suggest that
water molecules can remain bound to the micellar surface for more than a
hundred picosecond. The activation energy for such a transition from the bound
to a free state for the water molecules is estimated to be about 3.5kcal/mole.Comment: 12 pages. Phys. Rev. Lett. (Accepted) (2002
Trends in life science grid: from computing grid to knowledge grid
BACKGROUND: Grid computing has great potential to become a standard cyberinfrastructure for life sciences which often require high-performance computing and large data handling which exceeds the computing capacity of a single institution. RESULTS: This survey reviews the latest grid technologies from the viewpoints of computing grid, data grid and knowledge grid. Computing grid technologies have been matured enough to solve high-throughput real-world life scientific problems. Data grid technologies are strong candidates for realizing "resourceome" for bioinformatics. Knowledge grids should be designed not only from sharing explicit knowledge on computers but also from community formulation for sharing tacit knowledge among a community. CONCLUSION: Extending the concept of grid from computing grid to knowledge grid, it is possible to make use of a grid as not only sharable computing resources, but also as time and place in which people work together, create knowledge, and share knowledge and experiences in a community
- …