A New approach to build 3D atomic model from single electron microscope image

電子顕微鏡画像から3次元原子モデルを構築するための新しいアプローチ

松本 淳; 高木 淳一*; 岩崎 憲治*

Matsumoto, Atsushi; Takagi, Junichi*; Iwasaki, Kenji*

We have developed a new approach to build a 3D atomic model from a single electron microscope (EM) image of a biomolecule. In this approach, the initial structure (X-ray crystal structure or modeled structure) of the molecule is deformed by computational techniques and many atomic models with different conformations are generated. The deformation is performed in such a way that the internal energy of the molecule does not increase so much. For this purpose, the lowest frequency normal modes are used in the deformation. Then, each atomic model is projected to many different directions, and each projection is fitted to the EM image and the fitting-score is calculated. The atomic models with high fitting-scores are the candidates that reproduce the EM image.