Protein frustratometer: A tool to localize energetic frustration in protein molecules
The frustratometer is an energy landscape theory-inspired algorithm that aims at quantifying the location of frustration manifested in protein molecules. Frustration is a useful concept for gaining insight to the proteins biological behavior by analyzing how the energy is distributed in protein stru...
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_03051048_v40_nW1_pW348_Jenik |
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todo:paper_03051048_v40_nW1_pW348_Jenik2023-10-03T15:21:31Z Protein frustratometer: A tool to localize energetic frustration in protein molecules Jenik, M. Parra, R.G. Radusky, L.G. Turjanski, A. Wolynes, P.G. Ferreiro, D.U. protein algorithm article energy transfer frustration frustratometer information processing priority journal protein analysis protein conformation protein domain protein structure structure analysis web browser Algorithms Internet Mutation Protein Conformation Protein Folding Protein Structure, Tertiary Proteins Software User-Computer Interface The frustratometer is an energy landscape theory-inspired algorithm that aims at quantifying the location of frustration manifested in protein molecules. Frustration is a useful concept for gaining insight to the proteins biological behavior by analyzing how the energy is distributed in protein structures and how mutations or conformational changes shift the energetics. Sites of high local frustration often indicate biologically important regions involved in binding or allostery. In contrast, minimally frustrated linkages comprise a stable folding core of the molecule that is conserved in conformational changes. Here, we describe the implementation of these ideas in a webserver freely available at the National EMBNet node-Argentina, at URL: http://lfp.qb.fcen.uba. ar/embnet/. © 2012 The Author(s). JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_03051048_v40_nW1_pW348_Jenik |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
protein algorithm article energy transfer frustration frustratometer information processing priority journal protein analysis protein conformation protein domain protein structure structure analysis web browser Algorithms Internet Mutation Protein Conformation Protein Folding Protein Structure, Tertiary Proteins Software User-Computer Interface |
| spellingShingle |
protein algorithm article energy transfer frustration frustratometer information processing priority journal protein analysis protein conformation protein domain protein structure structure analysis web browser Algorithms Internet Mutation Protein Conformation Protein Folding Protein Structure, Tertiary Proteins Software User-Computer Interface Jenik, M. Parra, R.G. Radusky, L.G. Turjanski, A. Wolynes, P.G. Ferreiro, D.U. Protein frustratometer: A tool to localize energetic frustration in protein molecules |
| topic_facet |
protein algorithm article energy transfer frustration frustratometer information processing priority journal protein analysis protein conformation protein domain protein structure structure analysis web browser Algorithms Internet Mutation Protein Conformation Protein Folding Protein Structure, Tertiary Proteins Software User-Computer Interface |
| description |
The frustratometer is an energy landscape theory-inspired algorithm that aims at quantifying the location of frustration manifested in protein molecules. Frustration is a useful concept for gaining insight to the proteins biological behavior by analyzing how the energy is distributed in protein structures and how mutations or conformational changes shift the energetics. Sites of high local frustration often indicate biologically important regions involved in binding or allostery. In contrast, minimally frustrated linkages comprise a stable folding core of the molecule that is conserved in conformational changes. Here, we describe the implementation of these ideas in a webserver freely available at the National EMBNet node-Argentina, at URL: http://lfp.qb.fcen.uba. ar/embnet/. © 2012 The Author(s). |
| format |
JOUR |
| author |
Jenik, M. Parra, R.G. Radusky, L.G. Turjanski, A. Wolynes, P.G. Ferreiro, D.U. |
| author_facet |
Jenik, M. Parra, R.G. Radusky, L.G. Turjanski, A. Wolynes, P.G. Ferreiro, D.U. |
| author_sort |
Jenik, M. |
| title |
Protein frustratometer: A tool to localize energetic frustration in protein molecules |
| title_short |
Protein frustratometer: A tool to localize energetic frustration in protein molecules |
| title_full |
Protein frustratometer: A tool to localize energetic frustration in protein molecules |
| title_fullStr |
Protein frustratometer: A tool to localize energetic frustration in protein molecules |
| title_full_unstemmed |
Protein frustratometer: A tool to localize energetic frustration in protein molecules |
| title_sort |
protein frustratometer: a tool to localize energetic frustration in protein molecules |
| url |
http://hdl.handle.net/20.500.12110/paper_03051048_v40_nW1_pW348_Jenik |
| work_keys_str_mv |
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| _version_ |
1782028286446010368 |