Centers & Labs

RIKEN Quantitative Biology Center

Research and development project of special purpose supercomputers for drug design

Project Leader: Makoto Taiji (D.Sci.)
Makoto  Taiji(D.Sci.)

We are developing a special-purpose supercomputer for Molecular Dynamics (MD) simulations. An MD simulation enables observation of the dynamics of proteins, and is used as one of the standard methods for computational drug design. We are developing a special-purpose processor and a system using it to accelerate these simulations. This will enable long-time simulations from sub-millisecond to millisecond, which are difficult to realize by general-purpose supercomputers. Such simulations will contribute to the exploration of novel drug targets and to improving the precision of simulations for drug designs.

Main Research Field

Informatics

Related Research Fields

Interdisciplinary science and engineering

Keywords

  • Special-purpose computer
  • Molecular Dynamics simulations
  • Computational Drug Design
  • Computational Chemistry
  • High-Performance Computing

Lab Members

Principal Investigator

Makoto Taiji
Project Leader

Core Members

Yousuke Ohno
Senior Scientist
Yohei Koyama
Research Scientist
Teruhisa Komatsu
Research Scientist
Gentaro Morimoto
Technical Scientist
Hao Zhang
Postdoctoral Researcher
Aki Hasegawa
Research Associate
Itta Ohmura
Research Associate

Contact information

2F, QBiC Building B
6-2-4, Furuedai
Suita, Osaka
565-0874 JAPAN

Email: taiji [at] riken.jp