Molecules on a Leash: Fast Drug Discovery
You need to sift through millions of keys to find the one that unlocks the lock of a disease. Each key is a molecule, and the lock is a protein in our body. Checking each key manually is impossible, so chemists use computer models that predict how a molecule will behave in reality. Until recently, accurate calculations took hours or days on powerful computers. The new tool AceFF does it in seconds.