日時
2021年11月4日13:30 - 14:30 (JST)
講演者
森 貴治 (理化学研究所 開拓研究本部 (CPR) 杉田理論分子科学研究室 専任研究員)
会場
via Zoom
言語
英語

Recent advances in cryo-electron microscopy (cryo-EM) have enabled us to determine three-dimensional structures of biomolecules at near-atomic resolution. Protein structure modeling from experimental cryo-EM data can be achieved using a molecular dynamics (MD) simulation, called flexible fitting. We have developed MD-based flexible fitting algorithms for efficient and reliable protein structure modeling. In this seminar, I would like to talk about our recent contributions to this field, and propose perspectives towards next-generation structural biology.

References

  1. T. Mori, M. Kulik, O. Miyashita, J. Jung, F. Tama, and Y. Sugita,, Acceleration of cryo-EM Flexible Fitting for Large Biomolecular Systems by Efficient Space Partitioning, Structure, Pages 161-174.e3 (2019), doi: 10.1016/j.str.2018.09.004
  2. M. Kulik, T. Mori, and Y. Sugita,, Multi-Scale Flexible Fitting of Proteins to Cryo-EM Density Maps at Medium Resolution, Front. Mol. Biosci., 19 (2021), doi: 10.3389/fmolb.2021.631854
  3. T. Mori, G. Terashi, D. Matsuoka, D. Kihara, and Y. Sugita,, Efficient Flexible Fitting Refinement with Automatic Error Fixing for De Novo Structure Modeling from Cryo-EM Density Maps., J. Chem. Inf. Model. 18 (2021), doi: 10.1021/acs.jcim.1c00230

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