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Classification of Biomolecules by Invariant Shape Coordinates and Deformation Indexes

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Computational Science and Its Applications – ICCSA 2021 (ICCSA 2021)

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Abstract

In this paper we consider to approach the issue of the classification of protein structures by assigning them, in a unique way, sets of invariant parameters. To such purpose we suggest the use of shape parameters and deformation indexes derived from “symmetric” hyperspherical coordinates, as introduced by us in previous works. We give a resume of the theoretical background of coordinate and parameter derivation, followed by an application of the method to some representative protein structures.

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Acknowledgments

Thanks are due to the Dipartimento di Chimica, Biologia e Biotecnologie dell’Università di Perugia (FRB, Fondo per la Ricerca di Base 2019 and 2020) and to the MIUR and the University of Perugia for the financial support of the AMIS project through the program “Dipartimenti di Eccellenza”. A. L. acknowledges financial support from MIUR PRIN 2015 (contract 2015F59J3R_002). A.L. thanks the OU Supercomputing Center for Education & Research (OSCER) at the University of Oklahoma, for allocated computing time.

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Authors and Affiliations

  1. Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia, Perugia, Italy

    Lombardi Andrea & Noelia Faginas-Lago

  2. Master-tec s.r.l., Via Sicilia 41, 06128, Perugia, Italy

    Lombardi Andrea & Noelia Faginas-Lago

Authors
  1. Lombardi Andrea
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  2. Noelia Faginas-Lago
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Corresponding author

Correspondence to Lombardi Andrea .

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Editors and Affiliations

  1. University of Perugia, Perugia, Italy

    Osvaldo Gervasi

  2. University of Basilicata, Potenza, Potenza, Italy

    Beniamino Murgante

  3. Covenant University, Ota, Nigeria

    Sanjay Misra

  4. University of Cagliari, Cagliari, Italy

    Chiara Garau

  5. University of Cagliari, Cagliari, Italy

    Ivan Blečić

  6. Monash University, Clayton, VIC, Australia

    David Taniar

  7. Kyushu Sangyo University, Fukuoka, Japan

    Bernady O. Apduhan

  8. University of Minho, Braga, Portugal

    Ana Maria A. C. Rocha

  9. Polytechnic University of Bari, Bari, Italy

    Eufemia Tarantino

  10. Polytechnic University of Bari, Bari, Italy

    Carmelo Maria Torre

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Andrea, L., Faginas-Lago, N. (2021). Classification of Biomolecules by Invariant Shape Coordinates and Deformation Indexes. In: Gervasi, O., et al. Computational Science and Its Applications – ICCSA 2021. ICCSA 2021. Lecture Notes in Computer Science(), vol 12958. Springer, Cham. https://doi.org/10.1007/978-3-030-87016-4_27

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  • DOI: https://doi.org/10.1007/978-3-030-87016-4_27

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