Current Edition

Accurate Protein Electrostatics Add a New Dimension to Structure-based Drug Design

The combination of advanced molecular force fields and
improved visualisation capabilities has enabled chemists to
expand their ligand-only view of the electrostatics of their
system to include proteins, water and ligands. Important
insights into the causes of ligand binding are now available
on desktop computers and laptops, giving chemists
unprecedented control over drug design. Dr Tim Cheeseright
and Katriona Scoffin of Cresset look into electrostatic
interactions, at the heart of drug discovery.