Tetsu Narumi

Genome Informatics 14: 625--626 (2003) 625 Parallelized Simulation of Molecular Dynamics with a (2008)

Naoki Takada, Noriyuki Futatsugi, Atsushi Suenaga, Tetsu Narumi, Noriaki Okimoto, ...

Introduction Molecular dynamics (MD) simulation is a very useful technique for studying the structure and dynamics of biologically important molecules such as proteins and DNA/RNA. In MD simulations,...

Protein Explorer: A Petaflops Special-Purpose Computer System for Molecular Dynamics Simulations (2003)

Makoto Taiji, Noriyuki Futatsugi, Tetsu Narumi, Atsushi Suenaga, Yousuke Ohno, Naoki Takada, ...

We are developing the ‘Protein Explorer ’ system, a petaflops special-purpose computer system for molecular dynamics simulations. The Protein Explorer is a PC cluster equipped with...

An 8.61 Tflop/s Molecular Dynamics Simulation for NaCl with a Special-Purpose Computer (2001)

Tetsu Narumi, Atsushi Kawai, Takahiro Koishi, High Performance, Biocomputing Team

We performed molecular dynamics (MD) simulation of 33 million pairs of NaCl ions with the Ewald summation and obtained a calculation speed of 8.61 Tflop/s. In this calculation we used a...

High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations

Okimoto, Noriaki, Futatsugi, Noriyuki, Fuji, Hideyoshi, Suenaga, Atsushi, Morimoto, Gentaro, Yanai, Ryoko, ...

Virtual compound screening using molecular docking is widely used in the discovery of new lead compounds for drug design. However, this method is not completely reliable and therefore unsatisfactory....