Biomolecules are innately flexible, and undergo large-amplitude motions that affect the
surrounding solvation shell. Dynamical X-ray scattering provides direct insight into global …

Protein dynamics play a fundamental role in allosteric regulation, which is vital to the
function of many proteins. In many proteins, rather than a direct interaction, mutual …

A method of two-dimensional infrared (2D IR) spectroscopy called relaxation-assisted 2D IR
(RA 2DIR) is proposed that utilizes vibrational energy relaxation transport in molecules to …

Computational modeling can provide a wealth of insight into how energy flow in proteins
mediates protein function. Computational methods can also address fundamental questions …

Vibrational energy flow in the many degrees of freedom in proteins governs energy-barrier-
crossing processes, such as conformational exchanges and thermal reactions. The intensity …

The relaxation-assisted two-dimensional infrared (RA 2DIR) method is a novel technique for
probing structures of molecules, which relies on vibrational energy transport in molecules. In …

Vibrational energy transfer (VET) is believed to play an important role in protein function.
Theoretical studies predict highly directional, anisotropic VET in proteins. Distinct energy …

This perspective is focused on amide groups of peptides interacting with water. 2D IR
spectroscopy has already enabled structural aspects of the peptide backbone to be …

Population transfer between vibrational eigenstates is important for many phenomena in
chemistry. In solution, this transfer is induced by fluctuations in molecular conformation as …

Vibrational energy transport in transition metal complexes involves stages where energy
crosses relatively weak coordination bonds between a coordinated metal atom and the …