Practical Fragments

Accurately and reliably predicting fragment binding modes would be preferrable to doing messy, expensive, and sometimes tedious experimental...

Many interesting proteins have flat, featureless surfaces, lacking the deep pockets in which small molecules usually bind. But structures ca...

With crystal structures of protein-ligand interactions becoming increasingly accessible, it is easy to forget that proteins do not exist as ...

Earlier this year we highlighted a fragment optimization success story against a G protein-coupled receptor (GPCR) which made no use of str...

Imagine an alien species sees a single photo of a human. They would have no idea how our arms and legs move, or that our mouths can open and...

The fatty acid binding proteins (FABPs) are a family of 10 proteins that – as their name suggests – shuttle fatty acids around cells. FABP4...

It’s been a while since we’ve touched on some of the hazards of interpreting crystal structures (see here , here , and here ). In a recent i...