PLO3S: Protein LOcal Surficial Similarity Screening.
| Autor: | Sirugue L; Laboratoire GBCM, EA7528, Conservatoire National des Arts et Métiers, Hesam Université, 2, rue Conté, Paris, 75003, France., Langenfeld F; Laboratoire GBCM, EA7528, Conservatoire National des Arts et Métiers, Hesam Université, 2, rue Conté, Paris, 75003, France., Lagarde N; Laboratoire GBCM, EA7528, Conservatoire National des Arts et Métiers, Hesam Université, 2, rue Conté, Paris, 75003, France., Montes M; Laboratoire GBCM, EA7528, Conservatoire National des Arts et Métiers, Hesam Université, 2, rue Conté, Paris, 75003, France. |
|---|---|
| Jazyk: | angličtina |
| Zdroj: | Computational and structural biotechnology journal [Comput Struct Biotechnol J] 2023 Dec 11; Vol. 26, pp. 1-10. Date of Electronic Publication: 2023 Dec 11 (Print Publication: 2024). |
| DOI: | 10.1016/j.csbj.2023.12.002 |
| Abstrakt: | The study of protein molecular surfaces enables to better understand and predict protein interactions. Different methods have been developed in computer vision to compare surfaces that can be applied to protein molecular surfaces. The present work proposes a method using the Wave Kernel Signature: Protein LOcal Surficial Similarity Screening (PLO3S). The descriptor of the PLO3S method is a local surface shape descriptor projected on a unit sphere mapped onto a 2D plane and called Surface Wave Interpolated Maps (SWIM). PLO3S allows to rapidly compare protein surface shapes through local comparisons to filter large protein surfaces datasets in protein structures virtual screening protocols. Competing Interests: The authors declare the following financial interests/personal relationships which may be considered as potential competing interests: Léa Sirugue reports financial support was provided by 10.13039/501100000781European Research Council (grant agreement n° 640283). Matthieu Montes reports financial support was provided by 10.13039/501100000781European Research Council (grant agreement n° 640283). (© 2023 Published by Elsevier B.V. on behalf of Research Network of Computational and Structural Biotechnology.) |
| Databáze: | MEDLINE |
| Externí odkaz: |
|