The applications of multiscale quantum–classical (QM–MM) approaches have shown an
extraordinary expansion and diversification in the last couple of decades. A great proportion …

We present a simple experimental setup for performing two-dimensional (2D) electronic
spectroscopy in the partially collinear pump-probe geometry. The setup uses a sequence of …

Two-dimensional (2D) spectroscopy, originally developed for nuclear magnetic resonance,
has been recently extended to the infrared and visible regimes. In this technique sequences …

We present a method to quantitatively determine the secondary structure composition of
globular proteins using coherent two-dimensional infrared (2DIR) spectroscopy of backbone …

In the landscape of ultrafast spectroscopic tools, the deep-and near-ultraviolet ranges (200–
400 nm) have lagged behind due to the lack of tunability of both the pump and the probe …

Two‐dimensional electronic spectroscopy (2DES) is a cutting‐edge technique for
investigating with high temporal resolution energy transfer, structure, and dynamics in a …

A fully quantitative theory connecting protein conformation and optical spectroscopy would
facilitate deeper insights into biophysical and simulation studies of protein dynamics and …

The aim of this Perspective article is to cover recent developments in the application of
femtosecond UV spectroscopy to understand molecular dynamics, and outlining potential …

We report a first principles study of two dimensional electronic spectroscopy of aromatic side
chain transitions in the 32-residue β-amyloid (Aβ9–40) fibrils in the near ultraviolet (250–300 …

More than 20 neurodegenerative diseases [1–3] are associated with the formation and
deposition of amyloid fibrils of misfolded proteins.[4–8] Various amyloid-forming proteins …