[16p-K402-1~15] 12.6 Nanobiotechnology

2:15 PM - 2:30 PM JST(5:15 AM - 5:30 AM UTC)

[16p-K402-5] Protein lattice folding model using effective parameters evaluated by FMO

Toyoda Shintaro¹, Yasuda Shoya^2,3, Hideo Doi¹, Koji Okuwaki^1,4, Yusuke Tachino¹, Yuichiro Minato⁵, Kenji Sugisaki^6,7, 〇Yuji Mochizuki^1,8 (1.Rikkyo Univ., 2.Vignette&Clarity, 3.Inst. Sci. Tokyo, 4.JSOL, 5.blueqat, 6.Keio Univ., 7.CQuERE TCG-Crest, 8.Univ. Tokyo)

Keywords:

FMO,Protein Folding,Quantum Annealing

Protein folding in a lattice model is one of the interesting applications of quantum simulation. It is usually formulated in the QUBO format, but in this case we tried to use the HOBO format, which can easily handle higher order terms. In addition, we used not only the empirical MJ parameter used so far, but also the non-empirical effective parameters determined by FMO for the interaction between amino acid residues. As a result, the superiority of HOBO over QUBO and the versatility of FMO parameters (hydration conditions at the time of calculation are important) were demonstrated.