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Authors: Virginio Cantoni ; Riccardo Gatti and Luca Lombardi

Affiliation: University of Pavia, Italy

Keyword(s): Structural biology, Protein structure analysis, Protein-ligand interaction, Surface segmentation.

Related Ontology Subjects/Areas/Topics: Bioinformatics ; Biomedical Engineering ; Genomics and Proteomics ; Pattern Recognition, Clustering and Classification

Abstract: The study of the 3D structure of proteins supports the investigation of their functions and represents an initial step towards protein based drug design. The goal of this paper is to define a technique, based on the geometrical and topological structure of protein surfaces, for the detection and the analysis of sites of possible protein-protein and protein-ligand interactions. In particular, the aims is to identify concave and convex regions which constitute ‘pockets’ and ‘protuberance’ that can make up the interactions ‘active sites’. A segmentation process is applied to the solvent-excluded-surface (SES) through a sequence of propagation steps applied to the region between the protein convex-hull and the SES: the first phase generates the pockets (and tunnels) set, meanwhile the second (backwards) produces the protrusions set.

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Paper citation in several formats:
Cantoni, V.; Gatti, R. and Lombardi, L. (2011). MORPHOLOGICAL ANALYSIS OF 3D PROTEINS STRUCTURE. In Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms (BIOSTEC 2011) - BIOINFORMATICS; ISBN 978-989-8425-36-2; ISSN 2184-4305, SciTePress, pages 15-21. DOI: 10.5220/0003127000150021

@conference{bioinformatics11,
author={Virginio Cantoni. and Riccardo Gatti. and Luca Lombardi.},
title={MORPHOLOGICAL ANALYSIS OF 3D PROTEINS STRUCTURE},
booktitle={Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms (BIOSTEC 2011) - BIOINFORMATICS},
year={2011},
pages={15-21},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0003127000150021},
isbn={978-989-8425-36-2},
issn={2184-4305},
}

TY - CONF

JO - Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms (BIOSTEC 2011) - BIOINFORMATICS
TI - MORPHOLOGICAL ANALYSIS OF 3D PROTEINS STRUCTURE
SN - 978-989-8425-36-2
IS - 2184-4305
AU - Cantoni, V.
AU - Gatti, R.
AU - Lombardi, L.
PY - 2011
SP - 15
EP - 21
DO - 10.5220/0003127000150021
PB - SciTePress

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