Peptides and proteins are naturally chiral molecular systems so that sensing their structure
and conformation with chirality-based spectral methods is an obvious and long-used …

Raman spectroscopy has become a versatile tool in protein science and biotechnology.
Recent advances in spectral assignments and vibrational theory, examples of use in …

The ff94 force field that is commonly associated with the Amber simulation package is one of
the most widely used parameter sets for biomolecular simulation. After a decade of …

The ϕ, ψ backbone angle distribution of small homopolymeric model peptides is
investigated by a joint molecular dynamics (MD) simulation and heteronuclear NMR study …

Despite its theoretical and practical importance, protein folding remains among the most
fundamental unsolved problems in the life sciences. The challenge of predicting folded …

Electrodialysis (ED) was first established for water desalination and is still highly
recommended in this field for its high water recovery, long lifetime and acceptable electricity …

Classical descriptions of the three‐dimensional shapes of proteins usually invoke three
main structures: α‐helix, β‐sheet, and β‐turn. More recently, the polyproline II (PPII) structure …

Based on the AMBER polarizable model (ff02), we have reoptimized the parameters related
to the main‐chain (Φ, Ψ) torsion angles by fitting to the Boltzmann‐weighted average …

The poly (Pro) II (PII) conformation is increasingly recognized as an important element in
peptide and protein conformation. Circular dichroism (CD) is one of the most useful methods …

Over the last 40 years the theoretical basis has been developed for using vibrational
spectroscopy as a tool for peptide and protein structure analysis. In spite of these efforts it is …