Enzymes, which are biological molecules, are constructed from polypeptide chains, and
these molecules are activated through reaction mechanisms. It is the role of enzymes to …

Molecular dynamics (MD) simulation is a powerful tool for exploring the conformational
energy landscape of proteins, and the reliability of MD results is crucially dependent on the …

ATP-competitive inhibitors are currently the largest class of clinically approved drugs for
protein kinases. By targeting the ATP-binding pocket, these compounds block the catalytic …

Deuterium (2H) spin relaxation of 13CH2D methyl groups has been widely applied to
investigate picosecond-to-nanosecond conformational dynamics in proteins by solution …

Intramolecular motions in proteins are one of the important factors that determine their
biological activity and interactions with molecules of biological importance. Magnetic …

Molecular motions are fundamental to the existence of life, and NMR spectroscopy remains
one of the most useful and powerful methods to measure their rates and molecular …

Conformational entropy can be an important element of the thermodynamics of protein
functions such as the binding of ligands. The observed role for conformational entropy in …

Uremic toxins exert pathophysiological effects on cells and tissues, such as the generation
of a pro-calcifying subtype of exosome-like extracellular vesicles (EVs) in vascular cells …

We present a protocol that detects molecular conformational changes with two nitroxide
electron-spin labels and a nitrogen-vacancy (NV) center in diamond. More specifically, we …

The native structure of proteins is central to various functions performed by cells. A vital part
of the structure-function paradigm of proteins is their inherent flexibility and dynamics. The …