SPICE : Simulated Pore Interactive Computing Environment – Using Federated Grids for “ Grand Challenge ” Biomolecular Simulations

@inproceedings{Jha2005SPICES,
  title={SPICE : Simulated Pore Interactive Computing Environment – Using Federated Grids for “ Grand Challenge ” Biomolecular Simulations},
  author={Shantenu Jha and Peter V. Coveney and Matt Harvey},
  year={2005}
}
SPICE aims to understand the vital process of translocation of biomolecules across protein pores by computing the free energy profile of the translocating biomolecule along the vertical axis of the pore. Without significant advances at the algorithmic, computing and analysis levels, understanding problems of this size and complexity will remain beyond the scope of computational science for the foreseeable future. A novel algorithmic advance is provided by a combination of Steered Molecular… CONTINUE READING
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