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New measures for estimating surface complementarity and packing at protein-protein interfaces

Mitra, Pralay and Pal, Debnath (2010) New measures for estimating surface complementarity and packing at protein-protein interfaces. In: FEBS Letters, 584 (6). pp. 1163-1168.

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Official URL: http://dx.doi.org/10.1016/j.febslet.2010.02.021

Abstract

A number of methods exist that use different approaches to assess geometric properties like the surface complementarity and atom packing at the protein-protein interface. We have developed two new and conceptually different measures using the Delaunay tessellation and interface slice selection to compute the surface complementarity and atom packing at the protein-protein interface in a straightforward manner. Our measures show a strong correlation among themselves and with other existing measures, and can be calculated in a highly time-efficient manner. The measures are discriminative for evaluating biological, as well as non-biological protein-protein contacts, especially from large protein complexes and large-scale structural studies(http://pallab.serc. iisc.ernet.in/nip_nsc). (C) 201 Federation of European Biochemical Societies. Published by Elsevier B. V. All rights reserved.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Elsevier Science.
Keywords: Protein-protein interface; Surface complementarity; Interface packing; Method; Measure; Geometric compatibility
Department/Centre: Division of Information Sciences > Supercomputer Education & Research Centre
Division of Information Sciences > BioInformatics Centre
Date Deposited: 11 Jun 2010 05:58
Last Modified: 19 Sep 2010 05:59
URI: http://eprints.iisc.ernet.in/id/eprint/27038

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