 The computer can help us and what is primarily going to help us with is to improve the binding affinity Why well the problem is that once you have a hit you might have a drug here even say lead, but The problem with that is that the binding affinity is low the binding affinity basically measures the Chemical equilibrium right to a to b versus a b and And if k here is very low that just means that most of the reaction is going to be on that side It's only going to be a very small fraction of them that are here We can fix that if we want to push the reaction more in that direction if a is my protein and B is my drug The easy way to fix that is to add more drug the more drug I add the more I push it in that direction But if this is a factor thousand too low, I'm going to need to add roughly a factor of a thousand more drugs That's going to be bad You will start to have side effects and not only that you might have to eat five kilos of drugs per day At that concentration you can bet that you're gonna have side effects That will never be approved not to mention no patient will ever be willing to take it. So we need high Affinity to be able to have a drug that is likely to be effective Otherwise, we need too much of the drug for it to bind in the first place So we're gonna need to ask the computer to help us design a drug that binds stronger Once we have identified the pocket and everything from the hits and this is the so-called lead optimization phase So idea and going from a hit or another way falling. This is hit to lead So I have something that works and now I want to put this through more iterations Try a few things see if it improves test that in the experiment try a few more things Test it in the experiment again Pharma companies spend a lot of time here and they go through an iteration cycle that can be three to four weeks or so So every four weeks the theoreticians Bioinformaticians, they're expected to have a new prediction Then we decide what will we test in the lab and then four weeks later We need to have those lab results back and then we will ask the bioinformaticians Okay, based on those new experiments, what should we test in another four weeks? So it's a very rapid cycle that you have to go through We could not care less if you have the world's best results in five weeks I only want to know how good can you be in four weeks?