| Presentation | 2014/6/18 Protein-Protein Docking System on Large-Scale GPU Clusters MASAHITO OHUE, TAKEHIRO SHIMODA, YURI MATSUZAKI, TAKASHI ISHIDA, YUTAKA AKIYAMA, |
|---|---|
| PDF Download Page | PDF download Page Link |
| Abstract(in Japanese) | (See Japanese page) |
| Abstract(in English) | The application of protein-protein docking to the large-scale interactome analysis, the treatment of protein flexibility or multiple protein-protein docking problem are current challenges in structural bioinformatics that require huge computing resource. In this work we present MEGADOCK 4.0, an FFT-based docking software which makes extensive use of recent GPU supercomputers and show the powerful scalable performance of over 97% strong scaling with TSUBAME 2.5 supercomputing system. In addition, a million protein-protein docking jobs can be calculated about a half day by using 420 nodes of TSUBAME 2.5. |
| Keyword(in Japanese) | (See Japanese page) |
| Keyword(in English) | Protein-Protein Docking / GPU Cluster / TSUBAME 2.5 / MEGADOCK |
| Paper # | Vol.2014-MPS-98 No.32,Vol.2014-BIO-38 No.32 |
| Date of Issue |
| Conference Information | |
| Committee | IBISML |
|---|---|
| Conference Date | 2014/6/18(1days) |
| Place (in Japanese) | (See Japanese page) |
| Place (in English) | |
| Topics (in Japanese) | (See Japanese page) |
| Topics (in English) | |
| Chair | |
| Vice Chair | |
| Secretary | |
| Assistant | |
| Paper Information | |
| Registration To | Information-Based Induction Sciences and Machine Learning (IBISML) |
|---|---|
| Language | JPN |
| Title (in Japanese) | (See Japanese page) |
| Sub Title (in Japanese) | (See Japanese page) |
| Title (in English) | Protein-Protein Docking System on Large-Scale GPU Clusters |
| Sub Title (in English) | |
| Keyword(1) | Protein-Protein Docking |
| Keyword(2) | GPU Cluster |
| Keyword(3) | TSUBAME 2.5 |
| Keyword(4) | MEGADOCK |
| 1st Author's Name | MASAHITO OHUE |
| 1st Author's Affiliation | Graduate School of Information Science and Engineering, Tokyo Institute of Technology:Japan Society for the Promotion of Science() |
| 2nd Author's Name | TAKEHIRO SHIMODA |
| 2nd Author's Affiliation | Graduate School of Information Science and Engineering, Tokyo Institute of Technology |
| 3rd Author's Name | YURI MATSUZAKI |
| 3rd Author's Affiliation | Education Academy of Computational Life Sciences, Tokyo Institute of Technology |
| 4th Author's Name | TAKASHI ISHIDA |
| 4th Author's Affiliation | Graduate School of Information Science and Engineering, Tokyo Institute of Technology |
| 5th Author's Name | YUTAKA AKIYAMA |
| 5th Author's Affiliation | Graduate School of Information Science and Engineering, Tokyo Institute of Technology:Education Academy of Computational Life Sciences, Tokyo Institute of Technology |
| Date | 2014/6/18 |
| Paper # | Vol.2014-MPS-98 No.32,Vol.2014-BIO-38 No.32 |
| Volume (vol) | vol.114 |
| Number (no) | 105 |
| Page | pp.pp.- |
| #Pages | 4 |
| Date of Issue | |