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 …

Water is an essential participant in the stability, structure, dynamics, and function of proteins
and other biomolecules. Thermodynamically, changes in the aqueous environment affect …

Nature takes advantage of the pervasive presence of water to control many enzymatic
reactions by utilizing the unique properties of water, which in turn help regulating reaction …

All soluble proteins populate conformational ensembles that together constitute the native
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …

Because proteins are central to cellular function, researchers have sought to uncover the
secrets of how these complex macromolecules execute such a fascinating variety of …

Protein functions require conformational motions. We show here that the dominant
conformational motions are slaved by the hydration shell and the bulk solvent. The protein …

In recent decades, protein-based therapeutics have substantially expanded the field of
molecular pharmacology due to their outstanding potential for the treatment of disease …

Protein dynamics is central to all biological processes, including signal transduction, cellular
regulation and biological catalysis. Among them, in-depth exploration of ligand-driven …

The development and application of the free-electron X-ray laser (XFEL) to structure and
dynamics in biology since its inception in 2009 are reviewed. The research opportunities …

Catalytic reactions involve the direct interaction of reactants, intermediates and products with
the catalyst surface. We not only need to control the atomic structure and electronic …