Abstract Galectin (Gal)-3 is a β-galactoside-binding lectin emerging as a key player in
cardiac, hepatic, renal, and pulmonary fibrosis and inflammation, respiratory infections …

Nuclear Magnetic Resonance (NMR) has been widely employed to assess diverse features
of glycan–protein molecular recognition events. Different types of qualitative and quantitative …

Abstract Structure-based drug design has often been restricted by the rather static picture of
protein–ligand complexes presented by crystal structures, despite the widely accepted …

How the interplay between protein structure and internal dynamics regulates protein function
is poorly understood. Often, ligand binding, post-translational modifications and mutations …

Small-molecule drug discovery involves the optimization of various physicochemical
properties of a ligand, particularly its binding affinity for its target receptor (or receptors). In …

Biomolecules adopt a dynamic ensemble of conformations, each with the potential to
interact with binding partners or perform the chemical reactions required for a multitude of …

While protein conformational heterogeneity plays an important role in many aspects of
biological function, including ligand binding, its impact has been difficult to quantify …

It is well-established that dynamics are central to protein function; their importance is
implicitly acknowledged in the principles of the Monod, Wyman and Changeux model of …

Multivalent lectin-glycan interactions are widespread in biology and are often exploited by
pathogens to bind and infect host cells. Glycoconjugates can block such interactions and …

Understanding the driving forces underlying molecular recognition is of fundamental
importance in chemistry and biology. The challenge is to unravel the binding …