NEWS
a
NEWSニュース
NEWS
セミナー
2024.11.12
(An IPR seminar series supported by WPI PRIMe and ASPiRE)
日時:2024年11月22日(金)16:30 – 18:00
場所:大阪大学(吹田キャンパス)蛋白質研究所 2階中会議室 + Zoom
(Zoomでの参加をご希望の方は下記までご連絡ください。)
[Meeting ID: 849 9164 5171 / Passcode: 098186]
[Contact]
Sandhya P. Tiwari
Email: sandhyatiwari[at]protein.osaka-u.ac.jp([at]は@に置き換えてください。)
Ai Shinobu
Email: shinobu.ai.prime[at]osaka-u.ac.jp([at]は@に置き換えてください。)
What can we learn from SAXS data? An example of complementary analysis with MD simulation
Mao Oide, PhD.
Assistant Professor, Lab for CryoEM Structural Biology
Molecular dynamics simulation enables us to sample dynamic structures of biomolecules with high spatio-temporal resolution. However, due to the difficulties of reproducing the real ensemble from MD simulation, it is important to compare with experimental data. Among various experimental methods, Small-angle X-ray scattering (SAXS) can provide information on structural ensemble in solution at ambient temperature without any observational bias, even though structural information encoded in the profile is limited to low-resolution. In fact, SAXS data can also reveal a variety of molecular properties. In this talk, the principle of the measurement and analysis will be briefly explained, and then the study of molecular dynamics using SAXS and MD calculations will be presented.