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    PPOPP
    2006
    ACM
    138views Distributed And Parallel Com...» more  PPOPP 2006»
    Performance characterization of molecular dynamics techniques for biomolecular simulations
    14 years 5 months ago
    Performance characterization of molecular dynamics techniques for biomolecular simulations
    Download  ft.ornl.gov
    Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
    Sadaf R. Alam, Jeffrey S. Vetter, Pratul K. Agarwa...
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    BMCBI
    2008
    146views more  BMCBI 2008»
    Can molecular dynamics simulations help in discriminating correct from erroneous protein 3D models?
    13 years 11 months ago
    Can molecular dynamics simulations help in discriminating correct from erroneous protein 3D models?
    Download  www.biomedcentral.com
    Background: Recent approaches for predicting the three-dimensional (3D) structure of proteins such as de novo or fold recognition methods mostly rely on simplified energy potentia...
    Jean-François Taly, Antoine Marin, Jean-Fra...
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    HPCA
    2008
    IEEE
    169views Distributed And Parallel Com...» more  HPCA 2008»
    High-throughput pairwise point interactions in Anton, a specialized machine for molecular dynamics simulation
    14 years 5 months ago
    High-throughput pairwise point interactions in Anton, a specialized machine for molecular dynamics simulation
    Download  www.cs.utah.edu
    Richard H. Larson, John K. Salmon, Ron O. Dror, Ma...
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    HPCA
    2008
    IEEE
    154views Distributed And Parallel Com...» more  HPCA 2008»
    Incorporating flexibility in Anton, a specialized machine for molecular dynamics simulation
    14 years 5 months ago
    Incorporating flexibility in Anton, a specialized machine for molecular dynamics simulation
    Download  www.cs.utah.edu
    Jeffrey Kuskin, Cliff Young, John P. Grossman, Bra...
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    SC
    2005
    ACM
    121views Applied Computing» more  SC 2005»
    Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code
    14 years 4 months ago
    Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code
    Download  www.civ.cvut.cz
    François Gygi, Robert K. Yates, Juergen Lor...
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