量子アニーラでタンパク質折りたたみの三次元ラティス構造

• Date 2018-11-01 17:00 〜 18:00
• Venue Blueqat Hub/ MDR株式会社
  東京都文京区本郷2丁目40-14山崎ビル3F
• Organizer xx
• Attendees 24 / 50 attendees

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• 参加枠1 無料 24 / 50 attendees

About this event

はじめに こちらです。 Coarse-grained lattice protein folding on a quantum annealer Tomas Babej,∗ Mark Fingerhuth,† and Christopher Ing‡ ProteinQure Inc., Toronto, Canada (Dated: March 6, 2018) Lattice models have been used extensively over the past thirty years to examine the principles of protein folding and design. These models can be used to determine the conformation of the lowest energy fold out of a large number of possible conformations. However, due to size of conformational space, new algorithms are required for folding longer proteins sequences. Preliminary work was performed by Babbush et al. [3] to fold a small peptide on a planar lattice using a quantum annealing device. We extend this work to provide improved Ising-type Hamiltonian encodings for the problem of finding the lowest energy conformation of a lattice protein, in some cases obtaining a significant quadratic to quasilinear decrease in circuit complexity. Additionally we generalize to three spatial dimensions, which is necessary in order to obtain results with higher correlation to the actual atomistic shape of the protein. We outline our heuristic approach for splitting large problem instances into smaller subproblems that can be directly solved with the current D-Wave 2000Q architecture. To the best of our knowledge, this whitepaper sets a new record for lattice protein folding on a quantum annealer by folding Chignolin (10 residues) on a planar lattice and Trp-Cage (8 residues) the first ever protein folded on a cubic lattice with a quantum annealing device. Keywords: Quantum computing, quantum annealing, protein folding, lattice folding, graph theory https://www.proteinqure.com/files/proteinqure_quantum_annealing_protein_folding.pdf https://qiita.com/YuichiroMinato/items/43ee66d08799b82f3ff8 勉強会オンラインコミュニティ 随時情報の更新や勉強会の資料が手に入ります。わからないところを質問したり、ニュースの交換があります。 下記招待コードよりぜひご参加ください。 日本語版 https://join.slack.com/t/mdr-qc/shared_invite/enQtMzgxNDI3MTAyNzA3LThmYmRhZjkwYzFiZjRjNWZkNzJhOWMwOWNiYzgxYjdkNWE4ODA5ZWExZGYwZjFjM2RmNjE2ODJlYjgyNzNkNjY 勉強会資料は手に入りませんが、今後英語版も運用しています。国内情報の英語での共有と海外情報の共有。 https://join.slack.com/t/mdrqcglobal/shared_invite/enQtNDIwOTkwODM2NTkyLTg0MmM0ZGVhNTkzMzYxMTY0MjVhYzkyMWI1Y2IwNzMxYzBiYTkwNzc2ZWU5MzhkYTczMTY1MzFlYWUxNDlkMTI