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Cover Image, Volume 34, Issue 22
Publication year - 2013
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23388
Subject(s) - cover (algebra) , alphabet , citation , image (mathematics) , computer science , code (set theory) , web page , volume (thermodynamics) , combinatorics , gaussian , algorithm , library science , information retrieval , computer graphics (images) , world wide web , artificial intelligence , chemistry , mathematics , philosophy , programming language , linguistics , physics , mechanical engineering , computational chemistry , set (abstract data type) , quantum mechanics , engineering
A highly accurate and novel method for reconstructing protein backbones from alpha carbon traces is described by Benjamin Moore, Lawrence Kelley, James Barber, James Murray, and James MacDonald on page 1881 . Gaussian mixture models are used to build a “structural alphabet”, in this case a library of short alpha carbon fragments aligned on a central peptide bond. These are then fitted to alpha carbon protein models to estimate the positions of the missing backbone atoms. The cover image depicts several of the “letters” that make up the alphabet, surrounding an alpha carbon trace and reconstructed protein model. The method is available as a C++ source code and a webserver implementation at www.sbg.bio.ic.ac.uk/~phyre2/PD2_ca2main/ .