Comment on: “Energy landscape of a small peptide revealed by dihedral angle principal component analysis” - Archive ouverte HAL
Article Dans Une Revue Proteins - Structure, Function and Bioinformatics Année : 2006

Comment on: “Energy landscape of a small peptide revealed by dihedral angle principal component analysis”

Konrad Hinsen

Résumé

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.

Dates et versions

hal-02159753 , version 1 (19-06-2019)

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Konrad Hinsen. Comment on: “Energy landscape of a small peptide revealed by dihedral angle principal component analysis”. Proteins - Structure, Function and Bioinformatics, 2006, 64 (3), pp.795-797. ⟨10.1002/prot.20900⟩. ⟨hal-02159753⟩
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