Presentation Information

4:15 PM - 4:30 PM JST(7:15 AM - 7:30 AM UTC)

[23p-1BN-10]Analyses based on MM-MD/FMO collaborative calculation on the complex of influenza virus hemagglutinin and Fab antibody (PDB-ID: 1KEN) - Part 3

〇Shun Kitahara¹, Kazuki Akisawa¹, Koji Okuwaki¹, Hideo Doi¹, Eiji Yamamoto², Yoshinori Hirano², Kenji Yasuoka², Yoshiharu Mori^2,3, Shigenori Tanaka³, Yuji Mochizuki^1,4 (1.Rikkyo Univ., 2.Keio Univ., 3.Kobe Univ, 4.Univ. Tokyo)

Keywords:

Avian influenza virus,MD-FMO linked calculation,Interaction analysis

We have analyzed the interaction between influenza HA trimer and Fab antibody dimer complex (PDB ID=1KEN) using CP decomposition based on MD-FMO combination calculations. Last fall, we reported the results of the inter-protein (i.e., two-protein) analysis. Here, we attempted to treat a fourth-order tensor expanded on the time axis by geometric averaging of IFIEs between important residues of HA and two Fabs. The analyzed results suggest the importance of three-body interactions in antigen-antibody recognition.

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