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R-CCS Cafe - Special Edition (Dec 20, 2024)
R-CCS Cafe - Special Edition (Dec 20, 2024)
JapaneseDate | Fri, Dec 20, 2024 |
---|---|
Time | 3:10 pm - 4:20 pm |
City | Online |
Place | Online via Zoom
|
Language | Presentation Language: English Presentation Material: English |
Speakers |
Yasuhiro Matsunaga Graduate School of Science and Engineering ![]() Takashi Sumikama Nano Life Science Institute ![]() |
Talk Titles and Abstracts
1st Speaker: Yasuhiro Matsunaga
Title:
Integrative Modeling of Biomolecular Dynamics: Advancing AI for Science in Molecular Biology
Abstract:
An atomically detailed description of biomolecular conformational dynamics is essential for understanding their functions. Combining experimental measurements with molecular simulations can significantly improve these descriptions. Ensemble refinement methods, which employ simulations to refine ensemble-averaged data from NMR, SAXS, or cryo-EM, are widely used in integrative structural biology. In contrast, time-series data from recent single-molecule measurement techniques provide richer temporal information about biomolecular dynamics. We have been developing an integrative data assimilation framework, based on ML/AI, that fuses single-molecule time-series data with simulation results. In this presentation, we will first provide an overview of integrative modeling strategies, then highlight recent applications involving high-speed atomic force microscopy data. Finally, we will discuss our on-going efforts and future directions for “AI for Science” in molecular biology.
2nd Speaker: Takashi Sumikama
Title:
Theoretical and/or Computational Life Sciences for Experiments
Abstract:
It may be an unusual career for computational scientists, but I have worked as the only theoretical and/or computer science specialist in experimental laboratories for nearly 15 years. Thus, whether I like it or not, I had no choice but to conduct interdisciplinary researches. In this talk, I will briefly describe the essence of my previous researches, which were all qualitatively in accord with the experiments and explained the experimental results from the molecular level. Based on this experience, I would like to discuss the key points for efficient interdisciplinary researches, especially important points for theoretical or computational scientists to communicate with experimental researchers. In the near future, I believe that, beyond interdisciplinary researches, researches that break through the hierarchical structure of science and acquire new knowledge will be increasingly required. Therefore, in closing, I would like to share one my thought on a platform necessary to make such a breakthrough in the life science.
Important Notes
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(Dec 16, 2024)