Lattice Folding Simulation of Peptide by Quantum Computation

Rui SAITO; Koji OKUWAKI; Yuji MOCHIZUKI; Ryutaro NAGAI; Takumi KATO; Kenji SUGISAKI; Yuichiro MINATO

doi:10.2477/jccjie.2022-0036

Rui SAITO, Koji OKUWAKI, Yuji MOCHIZUKI, Ryutaro NAGAI, Takumi KATO, Kenji SUGISAKI, Yuichiro MINATO

Author information

Rui SAITO
1) Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan
Koji OKUWAKI
1) Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan
Yuji MOCHIZUKI
1) Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan
2) Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan
Ryutaro NAGAI
3) blueqat Inc., 2-24-12 Shibuya, Shibuya-ku, Tokyo 150-6139, Japan
Takumi KATO
3) blueqat Inc., 2-24-12 Shibuya, Shibuya-ku, Tokyo 150-6139, Japan
Kenji SUGISAKI
4) Department of Chemistry, Graduate School of Science, Osaka Metropolitan University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585, Japan
5) JST PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan
6) Centre for Quantum Engineering, Research and Education (CQuERE), TCG Centres for Research and Education in Science and Technology (TCG CREST), First Floor, Tower 1, Bengal Eco Intelligent Park (Techna), Block EM, Plot No 3, Sector V, Salt Lake, Kolkata, 700091, India
Yuichiro MINATO
3) blueqat Inc., 2-24-12 Shibuya, Shibuya-ku, Tokyo 150-6139, Japan

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Supplementary material

2023 Volume 9 Article ID: 2022-0036

DOI https://doi.org/10.2477/jccjie.2022-0036

Details

Abstract

Computational protein folding has attracted considerable interest over the years, including molecular simulations and artificial intelligence assisted methods. On the other hand, research and development of quantum computer hardware and software have been thriving recently. In this paper, we report a case study of peptide (PSVKMA) folding based on a two-dimensional lattice model, by using both the blueqat quantum simulator (called AutoQML) and the IonQ quantum device. As a result, it was found that the actual device was still susceptible to noises.

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Corresponding author

Funder information

1.Fund name: Japan Science and Technology Agency

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