[Yasuhiro Matsunaga] Development and Application of Data Assimilation Methods for Biomolecules

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Yasuhiro Matsunaga

Yasuhiro Matsunaga

Advanced Institute for Computational Science, RIKEN
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Outline

Data assimilation is a statistical method designed to improve the quality of numerical simulations in combination with real observations. In order to characterize the dynamical processes of biomolecules when they function, we develop a new data assimilation method for biomolecular simulations and experiments. Through the applications of the method to real experimental data, folding pathways and conformational changes of proteins are investigated in detail. We also generalize the method to integrate various types of experimental data including from single-molecule measurements to bulk measurements.

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