an ultra-high-performance protein-protein docking for heterogeneous supercomputers

Introduction

MEGADOCK 4.0 is a structural bioinformatics software for FFT-grid-based protein-protein docking that takes advantage of the massively parallel CUDA architechture of NVIDIA GPUs and multiple computation nodes.
MEGADOCK has been introduced to NVIDIA Corporation in the GPU-accelerated application catalog. (here)

Download

version 4.0.3: megadock-4.0.3.tgz (Mar 16, 2018 updated for supplemental scripts)
(old versions of MEGADOCK were integrated into the current version.)

Requirements


License

MEGADOCK is open source licensed under the GNU General Public License, version 3 or later.

Reference

Masahito Ohue, Takehiro Shimoda, Shuji Suzuki, Yuri Matsuzaki, Takashi Ishida, Yutaka Akiyama. MEGADOCK 4.0: an ultra-high-performance protein-protein docking software for heterogeneous supercomputers, Bioinformatics, 30(22): 3281-3283, 2014.

Developers

Fundings

This work is partially supported by JSPS Grant-in-Aid for Scientific Research (KAKENHI) (24240044, 15K16081, 17H01814, 18K18149).

Contact

Please contact the below address in case you find a bug, need detailed information or others.
megadock @ bi.cs.[ti] (please replace [ti] with titech.ac.jp)
Copyright © 2014-2018 Akiyama Laboratory, Tokyo Institute of Technology, All Rights Reserved.
Email: megadock @ bi.cs.* (please replace * with titech.ac.jp)
Last update : October 18, 2018