Neutron scattering, when combined with computational science, can aid in the drug discovery process in several ways. We illustrate how precision neutron crystallography can permit the derivation of the thermodynamic driving forces behind the binding of drugs to their targets. Also, we show how computational drug design protocols benefit considerably from a dynamic, rather than just a static,...
Proteins have evolved into complex nanomachines able to couple dynamics over
many orders of magnitude in time to precisely and exquisitely control
chemical reactions and processes such as signal transfer and the generation
of mechanical force. To understand how they are able to achieve this
requires not only the determination of their structure, but also study of
their dynamics. Time-resolved...
