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Research on parallel and distributed computing techniques for solving large-scale data processing and search problems in bioinformatics.
Development of HPC applications for molecular simulation, mass spectrometry analysis, cell simulation, etc.
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Parallel molecular-dynamics system predicting 3D protein structures by combining MolTreC2 program with statistical methods.
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Research Results
Papers
  
Team's Web Site
  
Team Member
Team Leader : Yutaka Akiyama
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Team Leader : Yutaka Akiyama

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Kazuhiko Fukui
Research Scientist

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Chie Motono
Research Scientist

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Koki Tsukamoto
AIST Research Staff

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quantum chemistry, quantum chemical calculation, molecular dynamics, molecular Orbital method, density functional theory, enzyme, reaction mechanism, relation ship between structure and function, nitric oxide reductase, poly-glutamine disease, polyQ, CGA repeat, heme, heame, heme protein, GFP, MD, MO, DFT, artificial enzyme, artificial protein, enzyme design, drug design

Numerical computation of enzyme function

Yuichiro Hourai
AIST Research Staff

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