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 to observe dynamics of proteins, and is used as one of the standard methods for computational drug design. We are developing develop a special-purpose processor and a system using them to accelerate these simulations. It will enable long-time simulations from sub-millisecond to millisecond those are difficult to be realized by general-purpose supercomputers. Such simulations will contribute to explore novel drug targets and to improve 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

Contact information

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

Email: taiji [at] riken.jp