PLO3S: Protein LOcal Surficial Similarity Screening

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: P...

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Main Authors: Léa Sirugue, Florent Langenfeld, Nathalie Lagarde, Matthieu Montes
Format: Article
Language:English
Published: Elsevier 2024-12-01
Series:Computational and Structural Biotechnology Journal
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Online Access:http://www.sciencedirect.com/science/article/pii/S2001037023004750
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author Léa Sirugue
Florent Langenfeld
Nathalie Lagarde
Matthieu Montes
author_facet Léa Sirugue
Florent Langenfeld
Nathalie Lagarde
Matthieu Montes
author_sort Léa Sirugue
collection DOAJ
description 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.
format Article
id doaj-art-61b56e255459462a9f444446d77b2cf6
institution Kabale University
issn 2001-0370
language English
publishDate 2024-12-01
publisher Elsevier
record_format Article
series Computational and Structural Biotechnology Journal
spelling doaj-art-61b56e255459462a9f444446d77b2cf62024-12-19T10:53:16ZengElsevierComputational and Structural Biotechnology Journal2001-03702024-12-0126110PLO3S: Protein LOcal Surficial Similarity ScreeningLéa Sirugue0Florent Langenfeld1Nathalie Lagarde2Matthieu Montes3Corresponding authors.; Laboratoire GBCM, EA7528, Conservatoire National des Arts et Métiers, Hesam Université, 2, rue Conté, Paris, 75003, FranceLaboratoire GBCM, EA7528, Conservatoire National des Arts et Métiers, Hesam Université, 2, rue Conté, Paris, 75003, FranceLaboratoire GBCM, EA7528, Conservatoire National des Arts et Métiers, Hesam Université, 2, rue Conté, Paris, 75003, FranceCorresponding authors.; Laboratoire GBCM, EA7528, Conservatoire National des Arts et Métiers, Hesam Université, 2, rue Conté, Paris, 75003, FranceThe 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.http://www.sciencedirect.com/science/article/pii/S2001037023004750Protein surfaceProtein structureSurface similaritySpectral geometrySurface comparison
spellingShingle Léa Sirugue
Florent Langenfeld
Nathalie Lagarde
Matthieu Montes
PLO3S: Protein LOcal Surficial Similarity Screening
Computational and Structural Biotechnology Journal
Protein surface
Protein structure
Surface similarity
Spectral geometry
Surface comparison
title PLO3S: Protein LOcal Surficial Similarity Screening
title_full PLO3S: Protein LOcal Surficial Similarity Screening
title_fullStr PLO3S: Protein LOcal Surficial Similarity Screening
title_full_unstemmed PLO3S: Protein LOcal Surficial Similarity Screening
title_short PLO3S: Protein LOcal Surficial Similarity Screening
title_sort plo3s protein local surficial similarity screening
topic Protein surface
Protein structure
Surface similarity
Spectral geometry
Surface comparison
url http://www.sciencedirect.com/science/article/pii/S2001037023004750
work_keys_str_mv AT leasirugue plo3sproteinlocalsurficialsimilarityscreening
AT florentlangenfeld plo3sproteinlocalsurficialsimilarityscreening
AT nathalielagarde plo3sproteinlocalsurficialsimilarityscreening
AT matthieumontes plo3sproteinlocalsurficialsimilarityscreening