Molecular recognition in water using macrocyclic synthetic receptors constitutes a vibrant
and timely research area of supramolecular chemistry. Pioneering examples on the topic …

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

How are water's material properties encoded within the structure of the water molecule? This
is pertinent to understanding Earth's living systems, its materials, its geochemistry and …

Simplified classical water models are currently an indispensable component in practical
atomistic simulations. Yet, despite several decades of intense research, these models are …

The structure of the electrical double layer has been debated for well over a century, since it
mediates colloidal interactions, regulates surface structure, controls reactivity, sets …

Classical 3-point rigid water models are most widely used due to their computational
efficiency. Recently, we introduced a new approach to constructing classical rigid water …

By focusing on essential features, while averaging over less important details, coarse-
grained (CG) models provide significant computational and conceptual advantages with …

Over the last forty years many computer simulations of water have been performed using
rigid non-polarizable models. Since these models describe water interactions in an …

Molecular recognition in biological systems relies on the existence of specific attractive
interactions between two partner molecules. Structure-based drug design seeks to identify …

The “Gold Standard” in Biochemistry text books. Biochemistry 4e, is a modern classic that
has been thoroughly revised. Don and Judy Voet explain biochemical concepts while …