title: Determining Factors for the Unfolding Pathway of Peptides, Peptoids, and Peptidic Foldamers.
abstract: We present a study of the mechanical unfolding pathway of five different oligomers (α-peptide, β-peptide, δ-aromatic-peptides, α/γ-peptides, and β-peptoids), adopting stable helix conformations. Using force-probe molecular dynamics, we identify the determining structural factors for the unfolding pathways and reveal the interplay between the hydrogen bond strength and the backbone rigidity in the stabilization of their helix conformations. On the basis of their behavior, we classify the oligomers in four groups and deduce a set of rules for the prediction of the unfolding pathways of small foldamers.
authors.affiliation: Institut für Physikalische Chemie, Universität Mainz , Duesbergweg 10-14, 55128 Mainz, Germany.|Graduate School Materials Science in Mainz , Staudinger Weg 9, 55128 Mainz, Germany.
authors.forename: Lalita
authors.initials: L
authors.lastname: Uribe
authors.affiliation: Institut für Physikalische Chemie, Universität Mainz , Duesbergweg 10-14, 55128 Mainz, Germany.
authors.forename: Jürgen
authors.initials: J
authors.lastname: Gauss
authors.affiliation: Institut für Physikalische Chemie, Universität Mainz , Duesbergweg 10-14, 55128 Mainz, Germany.
authors.forename: Gregor
authors.initials: G
authors.lastname: Diezemann