Metal–peptide rings form highly entangled topologically inequivalent frameworks with the same ring- and crossing-numbers... Here, the authors use a peptide folding-and-assembly strategy to selectively realize two highly entangled catenanes with 4 rings and 12 crossings, representing two of the 100 predicted topologies with...
Secondary structure propensities in peptide folding simulations: a systematic comparison of molecular mechanics interaction schemes AbstractWe present a systematic study directed toward the secondary structure propensity and sampling behavior in peptide folding simulations with eight different molecular dynamics force-field variants in explicit solvent....
Primary peptide folding dynamics observed with ultrafast temperature jump... Using time-resolved fluorescence spectroscopy, the folding time of this peptide was found to span from less than one nanosecond to a few nanoseconds, redefining the meaning of ultrafast dynamics in protein and peptide folding
Contrast pattern mining with gap constraints for peptide folding prediction*In this paper, we propose a peptide folding prediction method which discovers contrast patterns to differentiate and predict peptide folding classes....
