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dc.contributor.authorGonzalo, P.
Schafer, N.
Radusky, L.
Tsai, M.
Gusovsky, A. B.
Wolynes, P.G.
Ferreiro, D.
dc.date.accessioned 2017-02-22T21:07:14Z
dc.date.available 2017-02-22T21:07:14Z
dc.date.issued 2016
dc.identifier.citation Gonzalo, P., Schafer, N., Radusky, L., et al.. "Protein Frustratometer 2: A tool to localize energetic frustration in protein molecules now with electrostatics." Nucleic Acids Research, 44, no. W1 (2016) Oxford University Press: W356-W360. http://dx.doi.org/10.1093/nar/gkw304.
dc.identifier.urihttps://hdl.handle.net/1911/93960
dc.description.abstractThe 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.
dc.language.iso eng
dc.publisher Oxford University Press
dc.rights Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
dc.title Protein Frustratometer 2: A tool to localize energetic frustration in protein molecules now with electrostatics
dc.type Journal article
dc.citation.journalTitle Nucleic Acids Research
dc.citation.volumeNumber 44
dc.citation.issueNumber W1
dc.type.dcmi Text
dc.identifier.doihttp://dx.doi.org/10.1093/nar/gkw304
dc.type.publication publisher version
dc.citation.firstpage W356
dc.citation.lastpage W360
local.sword.agent Converis


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