16 citations · 42 across the 5 of their papers we have counts for
4 papers · 1 filter
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…
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…
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…
Systematic Study of the Boundary Composition in Poisson Boltzmann Calculations
P. Kar, Y. Wei, U. H. E. Hansmann +1
We describe a three-stage procedure to analyze the dependence of Poisson Boltzmann calculations on the shape, size and geometry of the boundary between solute and solvent. Our stud…