715 citations
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physics.bio-ph2007★ 14 cited
Backbone and Sidechain Ordering in a small Protein
Y. Wei, W. Nadler, U. H. E. Hansmann
We investigate the relation between backbone and side-chain ordering in a small protein. For this purpos e we have performed multicanonical simulations of the villin headpiece subd…
physics.bio-ph2007★ 12 cited
Side chain and backbone ordering in a polypeptide
Y. Wei, W. Nadler, U. H. E. Hansmann
We report results from multicanonical simulations of polyglutamic acid chains of length of ten residues. For this simple polypeptide we observe a decoupling of backbone and side-ch…
physics.bio-ph2007★ 16 cited
On the Helix-coil Transition in Alanine-based Polypeptides in Gas Phase
Y. Wei, W. Nadler, U. H. E. Hansmann
Using multicanonical simulations, the authors study the effect of charged end groups on helix formation in alanine based polypeptides. They confirm earlier reports that neutral pol…