The structure and function of biomolecules are strongly influenced by their hydration shells.
Structural fluctuations and molecular excitations of hydrating water molecules cover a broad …

We review a theory for coupled many-nonlinear oscillator systems that describes quantum
ergodicity and energy flow in molecules. The theory exploits the isomorphism between …

Development of new approaches for measuring three-dimensional structures and dynamics
of structural changes is important for a number of natural sciences, including structural …

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

Energy transport in molecules is essential for many areas of science and technology. Strong
covalent bonds of a molecular backbone can facilitate the involvement of the molecule's …

An approach is presented to calculate thermal boundary resistance in molecules, which
occurs, for example, at the interfaces between moieties held at fixed temperatures and a …

Energy transport during chemical reactions or following photoexcitation in systems of
biological molecules is mediated by numerous interfaces that separate chemical groups and …

Vibrational energy exchange between various degrees of freedom is critical to barrier-
crossing processes in proteins. Hemeproteins are well suited for studying vibrational energy …

Allosteric interactions in proteins generally involve propagation of local structural changes
through the protein to a remote site. Anisotropic energy transport is thought to couple the …

Within the protein interior, where we observe various types of interactions, nonuniform flow
of thermal energy occurs along the polypeptide chain and through nonbonded native …