title: 3D structural analysis of proteins using electrostatic surfaces based on image segmentation.
abstract: Herein, we present a novel strategy to analyse and characterize proteins using protein molecular electro-static surfaces. Our approach starts by calculating a series of distinct molecular surfaces for each protein that are subsequently flattened out, thus reducing 3D information noise. RGB images are appropriately scaled by means of standard image processing techniques whilst retaining the weight information of each protein's molecular electrostatic surface. Then homogeneous areas in the protein surface are estimated based on unsupervised clustering of the 3D images, while performing similarity searches. This is a computationally fast approach, which efficiently highlights interesting structural areas among a group of proteins. Multiple protein electrostatic surfaces can be combined together and in conjunction with their processed images, they can provide the starting material for protein structural similarity and molecular docking experiments.
authors.affiliation: Biomedical Research Foundation of the Academy of Athens, 11527, Athens, Greece; Bionetwork ltd. 15234, Chalandri, Athens, Greece; Computer Engineering and Informatics Department, School of Engineering, University of Patras, 26500 Patras, Greece.
authors.forename: Dimitrios
authors.initials: D
authors.lastname: Vlachakis
authors.affiliation: Bionetwork ltd. 15234, Chalandri, Athens, Greece; Department of Physiology, Medical School, University of Patras, 26500 Patras, Greece.
authors.forename: Spyridon
authors.initials: S
authors.lastname: Champeris Tsaniras
authors.affiliation: Biomedical Research Foundation of the Academy of Athens, 11527, Athens, Greece.
authors.forename: Georgia
authors.initials: G
authors.lastname: Tsiliki
authors.affiliation: Computer Engineering and Informatics Department, School of Engineering, University of Patras, 26500 Patras, Greece.
authors.forename: Vasileios
authors.initials: V
authors.lastname: Megalooikonomou
authors.affiliation: Biomedical Research Foundation of the Academy of Athens, 11527, Athens, Greece.
authors.forename: Sophia
authors.initials: S
authors.lastname: Kossida