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講演題目

Structure and dynamics of protein biological functions via X-ray crystallography and molecular dynamics simulations

詳細
開催日 2019年11月11日(月)
開催時間 13:40 - 14:20
開催都市 兵庫県神戸市
場所

R-CCS 6階講堂

使用言語 発表・スライド共に英語
登壇者

Florence Tama

計算構造生物学研究チーム チームリーダー

写真:Florence Tama

講演要旨

High resolution structures of biological molecules provide insights into their functions. Such structures are often derived from X-ray crystallographic experiments, but the information is not complete. Crystals are first cryo-cooled before collecting X-ray data. It has been suggested that, while backbone structures are usually very similar between room-temperature and cryo-temperature, cryo-cooling may hamper biologically relevant dynamics. In addition, X-ray crystallography requires crystals, which might lead to some artifacts as biomolecules might interact which each other, stabilizing specific conformations which might be different than in solution.
Furthermore, to fully understand function of biomolecules, dynamics need also to be considered. However, such X-ray crystallographic structure only represent one specific snapshot of the overall conformational space that biomolecules can cover. Therefore, to complement experimental data, Molecular Dynamics (MD) simulations can be utilized to connect structure, dynamics and function. We will be illustrating those points with studies we have been conducting on different biological systems.

(2019年11月7日)