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
version 4.0.3: megadock-4.0.3.tgz
(Mar 16, 2018 updated for supplemental scripts)
of MEGADOCK were integrated into the current version.)
MEGADOCK is open source licensed under the GNU General Public License, version 3 or later.
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
(22): 3281-3283, 2014.
- Dr. Masahito Ohue (Tokyo Institute of Technology, Japan)
- Mr. Takanori Hayashi (Tokyo Institute of Technology, Japan)
- Mr. Hiroki Watanabe (Tokyo Institute of Technology, Japan)
- Prof. Yutaka Akiyama (Tokyo Institute of Technology, Japan)
This work is partially supported by JSPS Grant-in-Aid for Scientific Research (KAKENHI) (24240044, 15K16081, 17H01814, 18K18149).
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