Virtual screening

Virtual screening is like playing a game. In this game, you are looking for a special type of molecule that can help do something important, like treating a disease. You can't actually go out and find the molecule you are looking for, so you use the computer to pretend to be searching for it. You give the computer a set of instructions about what you're looking for and it searches through millions of potential molecules to find ones that might be the one you need. Then, you choose a few of the molecules it found to check more closely and see if they really are the ones you need.