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Measuring peptide mass spectrum correlation using the quantum Grover algorithm.

Keng Wah Choo1

  • 1Bioinformatics Group, Nanyang Polytechnic, 180 Ang Mo Kio Avenue 8, Singapore 569830, Singapore. choo_keng_wah@nyp.edu.sg

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|May 16, 2007
PubMed
Summary

This study explores using the quantum Grover algorithm for mass spectrometry protein identification. Quantum computing offers a potential new method for searching spectral databases, improving accuracy if decoherence is managed.

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Area of Science:

  • Quantum computing
  • Biochemistry
  • Spectroscopy

Background:

  • Mass spectrometry is crucial for protein identification.
  • Current database search methods can be computationally intensive.
  • Quantum algorithms offer potential speedups for search problems.

Purpose of the Study:

  • To investigate the applicability of the quantum Grover algorithm for mass spectrometry-based protein identification.
  • To adapt quantum search principles for matching experimental mass spectra against theoretical databases.
  • To evaluate the performance and fidelity of the quantum approach.

Main Methods:

  • Mass spectra were encoded onto a quantum register.
  • The Grover search algorithm was employed to identify matching protein spectra.

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  • Quantum state fidelity measurements were used to quantify spectral similarity.
  • The optimal number of iterations for the Grover algorithm was theoretically determined.

    • Main Results:

    • One iteration of the Grover search is sufficient if over 62% of states are marked.
    • Fidelity measurements after one iteration correlate with existing correlation-based methods.
    • The quantum Grover algorithm shows promise for database searching in proteomics.

    Conclusions:

    • The quantum Grover algorithm can be adapted for mass spectra database searching.
    • High fidelity can be achieved with minimal quantum iterations under specific conditions.
    • Minimizing decoherence is critical for the successful implementation of this quantum approach.