Quantum algorithm for bioinformatics to compute the similarity between proteins

IET Quantum Communication, Journal Year: 2024, Volume and Issue: 5(4), P. 417 - 442

Published: June 24, 2024

Abstract Drug discovery has become a main challenge in the society, following COVID‐19 pandemic. However, pharmaceutical companies are already using computing to accelerate drug and increasingly interested quantum (QC), with view improving speed of development process for new drugs. The authors propose method generating random sequences based on occurrence protein database algorithms calculating similarity rate between proteins. Both concepts can be used structure prediction design. aim is find proteins closest generated obtain an ordering these First, will present construction generator that defines protein, called test protein. then describe different methods compute similarity's each or, case study, elafin. have been extended or adapted formalism use cases, is, amino acid sequences, tested see added value versions. interest observe whether QC process.

Language: Английский

---

Introduction to Computational Quantum Chemistry for Computer Scientists

2022 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), Journal Year: 2024, Volume and Issue: unknown, P. 273 - 282

Published: May 27, 2024

Language: Английский

---

Going beyond gadgets: the importance of scalability for analogue quantum simulators

Nature Communications, Journal Year: 2024, Volume and Issue: 15(1)

Published: Aug. 2, 2024

Quantum hardware has the potential to efficiently solve computationally difficult problems in physics and chemistry reap enormous practical rewards. Analogue quantum simulation accomplishes this by using dynamics of a controlled many-body system mimic those another system; such method is feasible on near-term devices. We show that previous theoretical approaches analogue suffer from fundamental barriers which prohibit scalable experimental implementation. By introducing new mathematical framework going beyond usual toolbox Hamiltonian complexity theory with an additional resource engineered dissipation, we these can be overcome. This provides powerful perspective for rigorous study simulators.

Language: Английский

---

Simulating spin biology using a digital quantum computer: Prospects on a near-term quantum hardware emulator

Deleted Journal, Journal Year: 2024, Volume and Issue: 1(3)

Published: Aug. 19, 2024

Understanding the intricate quantum spin dynamics of radical pair reactions is crucial for unraveling underlying nature chemical processes across diverse scientific domains. In this work, we leverage Trotterization to map coherent onto a digital gate-based simulation. Our results demonstrated an agreement between idealized noiseless circuit simulations and established master equation approaches homogeneous recombination, identifying ∼15 Trotter steps be sufficient faithfully reproducing coupled prototypical system. By utilizing computational technique study systems biological relevance, our findings underscore potential simulation (DQS) complex builds groundwork toward more utilitarian investigations into their reaction dynamics. We further investigate effect realistic error models on DQS approach provide upper limit number that can currently applied in absence mitigation techniques before losing accuracy deleterious noise effects.

Language: Английский

---

Distributed Computing Quantum Unitary Evolution

Lobachevskii Journal of Mathematics, Journal Year: 2024, Volume and Issue: 45(7), P. 3121 - 3129

Published: July 1, 2024

Language: Английский

---