Paper Citing NAMD - Abstract
Elmer, S.; Pande, V.S.
A new twist on the helix-coil transition: A non-biological helix with protein-like intermediates and traps
JOURNAL OF PHYSICAL CHEMISTRY B, 105:482-485, JAN 18 2001
All-atom computer simulations for the folding of a nonbiological helix, a 12-mer poly-phenylacetylene (pPA), are presented. We find that, unlike the classical helix-coil picture, pPA folds via on-pathway intermediate states and can also get trapped in misfolded states, much like that which one finds in simple models for proteins. Quantitative characterization of our pPA folding simulations finds a marked deviation from exponential kinetics, in agreement with experiment. Finally, we suggest how the helix-coil picture can be generalized to include these effects.
