| Literature DB >> 27131359 |
R Gonzalo Parra1, Nicholas P Schafer2, Leandro G Radusky3, Min-Yeh Tsai4, A Brenda Guzovsky1, Peter G Wolynes4, Diego U Ferreiro5.
Abstract
The protein frustratometer is an energy landscape theory-inspired algorithm that aims at localizing and quantifying the energetic frustration present in protein molecules. Frustration is a useful concept for analyzing proteins' biological behavior. It compares the energy distributions of the native state with respect to structural decoys. The network of minimally frustrated interactions encompasses the folding core of the molecule. Sites of high local frustration often correlate with functional regions such as binding sites and regions involved in allosteric transitions. We present here an upgraded version of a webserver that measures local frustration. The new implementation that allows the inclusion of electrostatic energy terms, important to the interactions with nucleic acids, is significantly faster than the previous version enabling the analysis of large macromolecular complexes within a user-friendly interface. The webserver is freely available at URL: http://frustratometer.qb.fcen.uba.ar.Entities:
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Year: 2016 PMID： 27131359 PMCID： PMC4987889 DOI： 10.1093/nar/gkw304
Source DB: PubMed Journal: Nucleic Acids Res ISSN： 0305-1048 Impact factor: 16.971