Free Energy Landscape Analysis System Based on Parallel Molecular Dynamics Simulation
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概要
- 論文の詳細を見る
We created a Free Energy Landscape Analysis System based on a parallelized molecular dynamics (MD) simulation adapted for the IBM Blue Gene/L supercomputer. We begin with an outline of our Free Energy Landscape Analysis system. Next we discuss how Parallel MD was tuned for Blue Gene/L. We then show the results for some test targets run on Blue Gene/L, including their efficiency. Finally, we mention some future directions for extension of this project.
著者
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Doi Jun
Deep Computing Development Laboratory Ibm Japan Ltd.
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Sekijima Masakazu
Computational Biology Research Center National Institute Of Advanced Industrial Science And Technolo
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Shimizu Shigenori
Deep Computing Development Laboratory Ibm Japan Ltd.
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Honda Shinya
Institute For Biological Resources And Functions National Institute Of Advanced Industrial Science A
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Akiyama Yutaka
Computational Biology Research Center
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Noguchi Tamotsu
Computational Biology Research Center (cbrc) National Institute Of Advanced Industrial Science And Technology (aist)
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Akiyama Yutaka
Computational Biology Research Center, National Institute of Advanced Industrial Science and Technology (AIST)
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