skip to main content
10.1145/3637732.3637779acmotherconferencesArticle/Chapter ViewAbstractPublication PagesicbbeConference Proceedingsconference-collections
research-article

Parallel Polynomial-Time Approximation Scheme (PTAS) for Finding Compact Structural Motifs

Published:28 February 2024Publication History

ABSTRACT

Structural motifs refer to patterns in 3D space that bear biological significance as they can indicate regions in the protein that have important roles in biochemical functions. Finding structural motifs given a set of peptides are NP-hard. Thus, there is no known polynomial-time algorithm that solves the problem optimally except when the quality of the solution is compromised. Although computationally hard, the problem is approximable and has a known polynomial-time approximation scheme (PTAS). With an existing PTAS, the problem can have a guaranteed quality that is inversely proportional to the running time. For a small error bound, the running time of the algorithm can become impractical. In this study, we design and implement a parallel version of the PTAS for the (R-C)-compact structural motif problem. Based on the empirical results, we obtained a speedup between 4x - 5x from the sequential version of the algorithm using three different protein data sets.

References

  1. 2018. UCSF ChimeraX. https://www.cgl.ucsf.edu/chimerax/.Google ScholarGoogle Scholar
  2. 2022. PyMOL by SchrMath 33dinger. https://pymol.org/.Google ScholarGoogle Scholar
  3. 2022. Python 3.10.5 Documentation for Multiprocessing and Process-based parallelism. https://docs.python.org/3/library/multiprocessing.html.Google ScholarGoogle Scholar
  4. Ghada Badr, Isra Al-Turaiki, and Hassan Mathkour. 2013. Classification and assessment tools for structural motif discovery algorithms. In BMC Bioinformatics 14, S4. https://doi.org/:10.1186/1471-2105-14-S9-S4Google ScholarGoogle ScholarCross RefCross Ref
  5. Jym Paul A. Carandang, Jhoirene B. Clemente, John Erol M. Evangelista, and Henry N. Adorna. 2018. PepSquad: A Tool for Finding Compact Structural Motifs from Peptides. 49–58.Google ScholarGoogle Scholar
  6. Nurhan Cetin. 2001. Speed-Up and Efficiency. https://svn.vsp.tu-berlin.de/repos/public-svn/publications/kn-old/strc/html/node9.html.Google ScholarGoogle Scholar
  7. Anirudh Chakravorty, Thomas George, and Yogish Sabharwal. 2014. Multicore Parallelization of the PTAS Dynamic Program for the Bin-Packing Problem. International Conference of Distributed Computing and Networking (Jan. 2014), 81–95. https://doi.org/10.1007/978-3-642-45249-9_6 MAG ID: 72703661 S2ID: dd10f5c19812c88cc30a006b0a6a32f8c277e851.Google ScholarGoogle ScholarDigital LibraryDigital Library
  8. Slobodan Jelic, Soeren Laue, Domagoj Matijevic, and Patrick Wijerama. 2015. A Fast Parallel Implementation of a PTAS for Fractional Packing and Covering Linear Programs. International Journal of Parallel Programming 43, 5 (Oct. 2015), 840–875. https://doi.org/10.1007/s10766-015-0352-y MAG ID: 2063612423 S2ID: 15ad2ebe3b613a98a7a9586ee166db205b53048e.Google ScholarGoogle ScholarDigital LibraryDigital Library
  9. Anton Petrov, Craig Zirbel, and Neocles Leontis. 2012. RNA 3D Hub: an Online Resource for RNA Structural Bioinformatics. http://rna.bgsu.edu/.Google ScholarGoogle Scholar
  10. Jianbo Qian, Shuaicheng Li, Dongbo Bu, Ming Li, and Jinbo Xu. 2007. Finding Compact Structural Motifs. In Combinatorial Pattern Matching. 142–149. https://doi.org/10.1007/978-3-540-73437-6_16Google ScholarGoogle ScholarCross RefCross Ref
  11. Otto von Guericke University Magdeburg. 2018. Parallel efficiency - simple approach. https://wikis.ovgu.de/lss/doku.php?id=guide:parallel_efficiency.Google ScholarGoogle Scholar

Index Terms

  1. Parallel Polynomial-Time Approximation Scheme (PTAS) for Finding Compact Structural Motifs
            Index terms have been assigned to the content through auto-classification.

            Recommendations

            Comments

            Login options

            Check if you have access through your login credentials or your institution to get full access on this article.

            Sign in
            • Published in

              cover image ACM Other conferences
              ICBBE '23: Proceedings of the 2023 10th International Conference on Biomedical and Bioinformatics Engineering
              November 2023
              295 pages
              ISBN:9798400708343
              DOI:10.1145/3637732

              Copyright © 2023 ACM

              Publication rights licensed to ACM. ACM acknowledges that this contribution was authored or co-authored by an employee, contractor or affiliate of a national government. As such, the Government retains a nonexclusive, royalty-free right to publish or reproduce this article, or to allow others to do so, for Government purposes only.

              Publisher

              Association for Computing Machinery

              New York, NY, United States

              Publication History

              • Published: 28 February 2024

              Permissions

              Request permissions about this article.

              Request Permissions

              Check for updates

              Qualifiers

              • research-article
              • Research
              • Refereed limited
            • Article Metrics

              • Downloads (Last 12 months)19
              • Downloads (Last 6 weeks)1

              Other Metrics

            PDF Format

            View or Download as a PDF file.

            PDF

            eReader

            View online with eReader.

            eReader

            HTML Format

            View this article in HTML Format .

            View HTML Format