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


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)


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.)



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, Bioinformatics, 30(22): 3281-3283, 2014.



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
Copyright © 2014-2018 Akiyama Laboratory, Tokyo Institute of Technology, All Rights Reserved.
Email: megadock @ bi.cs.* (please replace * with
Last update : October 18, 2018