Liquid water is a highly versatile material. Although it is formed from the tiniest of molecules,
it can shape and control biomolecules. The hydrogen-bonding properties of water are …

An understanding of molecular interactions is essential for insight into biological systems at
the molecular scale. Among the various components of molecular interactions, electrostatics …

Net atomic charges (NACs) are widely used throughout the chemical sciences to concisely
summarize key information about charge transfer between atoms in materials. The vast …

The DDEC6 method is one of the most accurate and broadly applicable atomic population
analysis methods. It works for a broad range of periodic and non-periodic materials with no …

The effect of molecular crowding on the structure and stability of biomolecules has become a
subject of increasing interest because it can clarify how biomolecules behave under cell …

We discuss the effectiveness of existing methods for understanding the forces driving the
formation of specific protein–DNA complexes. Theoretical approaches using the Poisson …

Nucleic acid sample storage is of paramount importance in biotechnology and forensic
sciences. Very recently, hydrated ionic liquids (ILs) have been identified as ideal media for …

The aim of this book is to explain the unusual properties of both pure liquid water and simple
aqueous solutions, in terms of the properties of single molecules and interactions among …

The capabilities of contemporary differential scanning and isothermal titration
microcalorimetry for studying the thermodynamics of protein unfolding/refolding and their …

The energetic profiles of a significant number of protein–DNA systems at 20° C reveal that,
despite comparable Gibbs free energies, association with the major groove is primarily an …