IMASL   20939
INSTITUTO DE MATEMATICA APLICADA DE SAN LUIS "PROF. EZIO MARCHI"
Unidad Ejecutora - UE
artículos
Título:
CheShift-2: graphic validation of protein structures
Autor/es:
MARTIN OA, VILA JA & SCHERAGA HA
Revista:
BIOINFORMATICS (OXFORD, ENGLAND)
Editorial:
OXFORD UNIV PRESS
Referencias:
Lugar: Oxford; Año: 2012 p. 1538 - 1539
ISSN:
1367-4803
Resumen:
Summary: The differences between observed and predicted 13Cαchemical shifts can be used as a sensitive probe with which todetect possible local flaws in protein structures. For this reason, wepreviously introduced CheShift, a Web server for protein structurevalidation. Now, we present CheShift-2 in which a graphical userinterface is implemented to render such local flaws easily visible. Aseries of applications to 15 ensembles of conformations illustrate theability of CheShift-2 to locate the main structural flaws rapidly andaccurately on a per-residue basis. Since accuracy plays a central rolein CheShift predictions, the treatment of histidine (His) is investigatedhere by exploring which form of His should be used in CheShift-2.Availability: CheShift-2 is free of charge for academic use and canbe accessed from www.cheshift.comContact: has5@cornell.edu; jv84@cornell.eduSupplementary information: Supplementary data are available atthe Bioinformatics online.Received on January 4, 2012; revised on March 27, 2012; acceptedon March 31, 2012