Proteins exhibit structural fluctuations over decades of time scales. From the picosecond
side chain motions to aggregates that form over the course of minutes, characterizing protein …

Two-dimensional (2D) optical spectroscopy utilizing multiple ultrafast coherent laser pulses
in the infrared or UV-vis frequency range has been used to study protein structure and …

Two-Dimensional Optical Spectroscopy discusses the principles and applications of newly
emerging two-dimensional vibrational and optical spectroscopy techniques. It provides a …

The first step toward understanding most of the chemical and biological processes in
condensed phases is to accurately describe solute− solvent interaction energy and to …

A combined electronic structure/molecular dynamics approach was used to calculate
infrared and isotropic Raman spectra for the OH or OD stretches of dilute HOD in D2O or …

The advent of laser-based sources of ultrafast infrared pulses has extended the study of very
fast molecular dynamics to the observation of processes manifested through their effects on …

β-Sheets are a commonly found structural motif in self-assembling aromatic peptide
amphiphiles, and their characteristic “amide I” infrared (IR) absorption bands are routinely …

Polyglutamine (polyQ) sequences are found in a variety of proteins, and mutational
expansion of the polyQ tract is associated with many neurodegenerative diseases. We study …

Amyloid diseases, including neurodegenerative diseases such as Alzheimer's and
Parkinson's, are linked to a poorly understood progression of protein misfolding and …

We present an approach for parametrizing spectroscopic maps of carbonyl groups against
experimental IR absorption spectra. The model correlates electric fields sampled from …