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 4.1.1: megadock-4.1.1.tgz
(Apr 17, 2019 changed the sorting algorithm of docking scores)
GitHub repository is available from here
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