Science

Here's a Ligand, Go Design a Protein (opens in new tab)

When I get asked what areas of drug design are the most amenable to being changed by AI/ML techniques, my general answer is “proteins and antibodies”. That takes no great imaginative leap on my part, because the current protein structure prediction (and protein design) tools are often (although not invariably!) quite impressive - and particularly so compared to the state of the art in small molecules. Antibodies are probably the shortest path to making actual drugs with these tools as well, s...

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