Myriad biological communication events achieve the requisite level of specificity by
exploiting the rich structural and functional diversity of glycoconjugates. Although a wide …

The influence of a xenobiotic compound on an organism is usually summarized by the
expression biological activity. If a controlled, therapeutically relevant, and regulatory action …

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 …

Function in biological systems is exquisitely dependent on spatial and temporal changes in
biomacromolecules. Innumerable biological processes ultimately rely on transduction of …

Protein function depends on transitions from the ground state to higher energy states.
Deviations from the ground-state structure result from chemical reactivity and conformational …

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 …

Proteins are in constant motion between different conformational states with similar
energies. This has often been ignored in drug design. However, protein flexibility is …

Allosteric interactions are typically considered to proceed through a series of discrete
changes in bonding interactions that alter the protein conformation. Here we show that …

This review surveys recent investigations of conformational fluctuations of proteins in
solution using NMR techniques. Advances in experimental methods have provided more …

Noncovalent binding provides an invisible wiring diagram for biomolecular pathways and is
the essence of host-guest and supramolecular chemistry. Decades of theoretical and …