Document Type

Article

Publication Date

3-2010

Publication Title

International Journal of Computational Biology and Drug Design

Volume

3

Issue

4

Publisher

Inderscience Publishers

Abstract

A structure-based approach is described for predicting the effects of amino acid substitutions on protein function. Structures were predicted using a homology modelling method. Folding and binding energy differences between wild-type and mutant structures were computed to quantitatively assess the effects of amino acid substitutions on protein stability and protein–protein interaction, respectively. We demonstrated that pathogenic mutations at the interaction interface could affect binding energy and destabilise protein complex, whereas mutations at the non-interface might reduce folding energy and destabilise monomer structure. The results suggest that the structure-based analysis can provide useful information for understanding the molecular mechanisms of diseases.

Comments

This manuscript has been published in the journal International Journal of Computational Biology and Drug Design. Please find the published version here (note that a subscription is necessary to access this version):

http://www.inderscience.com/offer.php?id=38396

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