The simposium will be hled at RIKEN Advanced Institute for Computational Science (AICS), 6F auditorium.(Please refer to RIKEN website for the location.)
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Apr.1 (Wed.)- 2 (Thur.), 2015, RIKEN |
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The simposium will be hled at RIKEN Advanced Institute for Computational Science (AICS), 6F auditorium.
(Please refer to RIKEN website for the location.)
April 1st (Wednesday)
| 13:00 - 13:15 | Opening talk by Kimihiko Hirao (RIKEN) |
| Session 1: Cellular-scale simulations by multi-scale models (Chair: Yuji Sugita) | |
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| 13:15 - 14:00 | Zaida Luthey-Schulten (University of Illinois) |
| GPU-based Simulations of Cellular Processes: From Single Cells to Colonies | |
| 14:00 - 14:45 | Leihan Tang (Hong Kong Baptist University and Beijing Computational Science Research Center) |
| Acetate overflow in bacteria: a manifestation of growth-regulated proteome coordination? | |
| 14:45 - 15:15 | Koichi Takahashi (RIKEN) |
| Simulating intracellular biochemical networks at the molecular resolution | |
| << Coffee Break (15:15 - 15:30) >> | |
| << K tour & MD GRAPE4 (15:30 - 16:30) >> | |
| Session 2: Large-scale MD simulations in life science (Chair: Makoto Taiji) | |
| 16:30 - 17:15 | Klaus Schulten (University of Illinois) |
| Data-guided and Advanced Sampling Molecular Dynamics Simulations to Resolve Large Scale Structure and Dynamics of Biomolecules | |
| 17:15 - 17:45 | Jin Yu (Beijing Computational Science Research Center) |
| Fluctuation and fidelity control in T7 RNA polymerase transcription | |
| 17:45 - 18:15 | Yuji Sugita (RIKEN) |
| Molecular Dynamics Simulations of Atomic Models of Bacterial Cytoplasm | |
April 2nd (Thursday)
| Session 3: Simulations of molecular machinery in biological systems (Chair: Tadashi Ando) | |
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| 09:15 - 09:45 | Osamu Miyashita (RIKEN) |
| Effect of Crystal Packing on Protein Conformations and Dynamics | |
| 09:45 - 10:15 | Haiguang Liu (Beijing Computational Science Research Center) |
| Computational challenges in analysis of data from X-ray free electron laser | |
| 10:15 - 10:45 | Florence Tama (RIKEN & Nagoya University) |
| Hybrid approaches to characterize structure and dynamics of biomolecular systems from single molecule experiments | |
| << Coffee Break (10:45 - 11:00) >> | |
| Session 4: MD simulations using special-purpose machines (Chair: Yasuhiro Matsunaga) | |
| 11:00 - 11:45 | Yibing Shan (D.E.Shaw Research & Beijing Computational Science Research Center) |
| Structural Biology of Protein Kinases by Large-scale Molecular Dynamics Simulation | |
| 11:45 - 12:15 | Makoto Taiji (RIKEN) |
| MDGRAPE-4: the special-purpose computer system for MD simulations | |
| 12:15 - 12:20 | Closing remarks by Makoto Taiji (RIKEN) |
Yuji Sugita (RIKEN), Makoto Taiji (RIKEN)
For any questions regarding the workshop, please send an email to the secretary Ms. Hiromi Kano (hkano "at" riken.jp (please change "at" to @)).