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Separability between overall and internal motion: A protein folding problem
Author(s) -
Johnson Eric
Publication year - 2012
Publication title -
proteins: structure, function, and bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.699
H-Index - 191
eISSN - 1097-0134
pISSN - 0887-3585
DOI - 10.1002/prot.24175
Subject(s) - folding (dsp implementation) , protein folding , villin , relaxation (psychology) , chemistry , computer science , biological system , crystallography , biology , biochemistry , engineering , actin , neuroscience , electrical engineering
The separability between overall and internal motions is evaluated over multiple folding trajectories of the villin headpiece subdomain. The analysis, which relies on the Prompers‐Brüschweiler separability index, offers a potentially useful perspective on protein folding. The protein is considered folded in this study, not when it reaches some static target, but rather when it tumbles as a dynamically constrained object. The analysis also demonstrates how the separability index, when applied to protein folding simulations, can facilitate the analysis of NMR relaxation data. Proteins 2012;. © 2012 Wiley Periodicals, Inc.