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Importance of Backbone and Solvent Properties for Conformational Dynamics in Polypeptides
Author(s) -
Doose Sören
Publication year - 2008
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200800545
Subject(s) - molecular dynamics , side chain , solvent , chemistry , chemical physics , computational chemistry , materials science , polymer , organic chemistry
Have a spine! A complete quantitative description of the interactions between the backbone and the side chains that cause a polypeptide chain to collapse has not yet been given. The MD simulations highlighted herein show that water is a poor solvent for polyglycine, a generic backbone model (see picture). The results have implications for understanding the dynamic properties of intrinsically disordered proteins.