Premium
Comment on: “Energy landscape of a small peptide revealed by dihedral angle principal component analysis”
Author(s) -
Hinsen Konrad
Publication year - 2006
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.20900
Subject(s) - dihedral angle , maxima and minima , principal component analysis , energy landscape , energy (signal processing) , geography , computer science , mathematics , chemistry , artificial intelligence , statistics , mathematical analysis , biochemistry , hydrogen bond , organic chemistry , molecule
The dihedral angle principal component analysis method published recently by Mu, Nguyen, and Stock, is shown to produce distortions of the free energy landscape due to the neglect of constraints in the coordinates. It is further shown that these distortions can create artificial minima and energy barriers. The rugged energy landscape that the authors find for a small peptide chain might thus be an artifact of their method. Proteins 2006. © 2006 Wiley‐Liss, Inc.