INQUIMAE   12526
INSTITUTO DE QUIMICA, FISICA DE LOS MATERIALES, MEDIOAMBIENTE Y ENERGIA
Unidad Ejecutora - UE
artículos
Título:
Protein Frustratometer Server: a tool to localize the energetic frustration in protein molecules
Autor/es:
JENIK M; PARRA RG; RADUSKY L; TURJANSKI A; WOLYNES PG; FERREIRO DU
Revista:
NUCLEIC ACIDS RESEARCH
Editorial:
OXFORD UNIV PRESS
Referencias:
Lugar: Oxford; Año: 2012 p. 348 - 348
ISSN:
0305-1048
Resumen:
The frustratometer is an energy landscape theory- inspired algorithm that aims at quantifying the location of frustration manifested in protein mol- ecules. 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 frus- tration often indicate biologically important regions involved in binding or allostery. In contrast, minim- ally frustrated linkages comprise a stable folding core of the molecule that is conserved in conform- ational changes. Here, we describe the implementa- tion of these ideas in a webserver freely available at the National EMBNet nodeĀ—Argentina, at URL: http://lfp.qb.fcen.uba.ar/embnet/.