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Authors: Virginio Cantoni ; Riccardo Gatti and Luca Lombardi

Affiliation: University of Pavia, Italy

Keyword(s): Protein structure analysis, Protein-protein interaction, Surface labeling, Convex hull, Distance transform.

Related Ontology Subjects/Areas/Topics: Algorithms and Software Tools ; Bioinformatics ; Biomedical Engineering ; Computational Molecular Systems ; Image Analysis ; Structural Bioinformatics

Abstract: The morphological complementarities of molecular surfaces provides insights for the identification and evaluation of binding sites. A quantitative characterization of these sites is an initial step towards protein based drug design. The final goal of the activity here presented is to provide a method that allows the identification of sites of possible protein-protein and protein-ligand interaction on the basis of the geometrical and topological structure of protein surfaces. The goal is to discover complementary regions (that is with concave and convex segments that match each others) among different molecules. In particular, we are considering the first step of this process: the segmentation of the protein surface in protuberances and cavities through an approach based on an analysis of the molecule Convex Hull and on the Distance Transform.

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Paper citation in several formats:
Cantoni, V.; Gatti, R. and Lombardi, L. (2010). SEGMENTATION OF SES FOR PROTEIN STRUCTURE ANALYSIS. In Proceedings of the First International Conference on Bioinformatics (BIOSTEC 2010) - BIOINFORMATICS; ISBN 978-989-674-019-1; ISSN 2184-4305, SciTePress, pages 83-89. DOI: 10.5220/0002590900830089

@conference{bioinformatics10,
author={Virginio Cantoni. and Riccardo Gatti. and Luca Lombardi.},
title={SEGMENTATION OF SES FOR PROTEIN STRUCTURE ANALYSIS},
booktitle={Proceedings of the First International Conference on Bioinformatics (BIOSTEC 2010) - BIOINFORMATICS},
year={2010},
pages={83-89},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0002590900830089},
isbn={978-989-674-019-1},
issn={2184-4305},
}

TY - CONF

JO - Proceedings of the First International Conference on Bioinformatics (BIOSTEC 2010) - BIOINFORMATICS
TI - SEGMENTATION OF SES FOR PROTEIN STRUCTURE ANALYSIS
SN - 978-989-674-019-1
IS - 2184-4305
AU - Cantoni, V.
AU - Gatti, R.
AU - Lombardi, L.
PY - 2010
SP - 83
EP - 89
DO - 10.5220/0002590900830089
PB - SciTePress

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