Synthetic molecular probes, chemosensors, and nanosensors used in combination with
innovative assay protocols hold great potential for the development of robust, low-cost, and …

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

The product of the condensation reaction between glycoluril and formaldehyde was first
reported in a thesis by Eberhard Meyer in 1904 (1) and then published by Behrend and co …

On the basis of many literature measurements, a critical overview is given on essential
noncovalent interactions in synthetic supramolecular complexes, accompanied by analyses …

Binding free energy calculations based on molecular simulations provide predicted affinities
for biomolecular complexes. These calculations begin with a detailed description of a …

The supramolecular chemistry of cucurbit [n] urils (CB n) has been rapidly developing to
encompass diverse medicinal applications, including drug formulation and delivery …

The construction of controlled biomacromolecular assemblies has become a thriving area of
supramolecular chemistry. In this context, cucurbiturils (CBs), a class of macrocyclic …

In a three-dimensional (3D) representation, each protein molecule displays a specific
pattern of chemical and topological features, which are altered during its misfolding and …

We present a strategy for carrying out high-precision calculations of binding free energy and
binding enthalpy values from molecular dynamics simulations with explicit solvent. The …

The rationalization of non‐covalent binding trends is both of fundamental interest and
provides new design concepts for biomimetic molecular systems. Cucurbit [n] urils (CBn) are …