An Experimental Shape Matching Approach for Protein Docking

Fernandes, Francisco; Ferreira, Alfredo

An Experimental Shape Matching Approach for Protein Docking

Files

021-025.pdf (193.93 KB)

Date

2016

Authors

Fernandes, Francisco
Ferreira, Alfredo

Publisher

The Eurographics Association

Abstract

Proteins play a vital role in biological processes, with their function being largely determined by their structure. It is important to know what a protein binds, where it binds, how it binds, and what is its final conformation. Several methodologies have been applied to solve this complex protein-protein docking problem, but the number of degrees of freedom renders this a very slow and computationally heavy challenge. To handle this problem, we propose a multi-level space partition approach to describe the three-dimensional shape of the protein. By combining two proteins in the same data structure we are able to easily detect the shape-complementary regions. Moreover, by directly integrating bio-energetic information, we can drive the algorithm by both parameters and provide a fast and efficient way to overcome some of the limitations of previous approaches.

        @inproceedings{10.2312:3dor.20161083
,
booktitle = {Eurographics Workshop on 3D Object Retrieval
},
editor = {A. Ferreira and A. Giachetti and D. Giorgi
},
title = {{An Experimental Shape Matching Approach for Protein Docking
}},
author = {Fernandes, Francisco and 
Ferreira, Alfredo
},
year = {2016
},
publisher = {The Eurographics Association
},
ISSN = {1997-0471
},
ISBN = {978-3-03868-004-8
},
DOI = {10.2312/3dor.20161083
}
}