Peptides are of great importance in biology for their many activities: hormones, intracellular
signals, neurotransmitters, immunogens, antibiotics, toxins, and so on. The biological …

Folded polyproline peptides can exist as either left-(PPII) or right-handed (PPI) helices,
depending on their environment. In this work, we have characterized the conformations and …

Despite that a number of experimental and theoretical investigations have been carried out
to determine the structure of trialanine in water, the reported populations of polyproline II …

We describe a scheme for tagging an alanine-based peptide with a Cu (II) and a nitroxide to
measure unfolding transitions. The enhancement in longitudinal relaxation rate of the …

Cholinesterase-like adhesion molecules (CLAMs) are a family of neuronal cell adhesion
molecules with important roles in synaptogenesis, and in maintaining structural and …

Structural preferences in the unfolded state of peptides determined by molecular dynamics
still contradict experimental data. A remedy in this regard has been suggested by MD …

The prediction of the three-dimensional native structure of proteins from the knowledge of
their amino acid sequence, known as the protein folding problem, is one of the most …

We have used a combination of FTIR, VCD, ECD, Raman, and NMR spectroscopies to
probe the solution conformations sampled by H-(AAKA)-OH by utilizing an excitonic …

Despite the increasing relevance of characterizing local conformational distributions in the
unfolded state, an unambiguous description of the role that solvation and the addition of …

The 21 residue polyalanine-based Fs peptide was studied using thousands of long, explicit
solvent, atomistic molecular dynamics simulations that reached equilibrium at the ensemble …