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.
version 4.0.2: megadock-4.0.2.tgz
(Mar 25, 2015 updated for some memory allocation problems)
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)
- Dr. Yuri Matsuzaki (Tokyo Institute of Technology, Japan)
- Dr. Nobuyuki Uchikoga (Chuo University, Japan)
- Dr. Takashi Ishida (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) (A) Grant Number 24240044.
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