Recently I read good news that the latest supercomputer developed by Japan named ‘Fugaku’ has the world’s fastest computing speed. Th e ULR of the japan times is below.
Recently computational chemists need to handle huge amount of virtual compounds and data (medicinal chemist too ;)). So many computer resources are required to drug discovery projects.
By using supercomputer, virtual screening with massive virtual compounds will performed in short time. So it provides many opportunity to pick up screening canditates.
Does it really mean supercomputer accelerates drug discovery process? Docking study, long time molecular dynamics and ab initio calculation in short time is useful for researchers, I agree that. However I think biological process is too complex to simulate current computing. And target protein and ligand interaction prediction is only one side of drug development process.
So some news papers describes ‘Fugaku for drug discovery’ looks overhype for me.
But I thought that it is difficult computer to win human in Japanese Chess or it will tooooo long time to develop computer which can win to human when I was high school student. But now, computer wins professional Japanese chess player.
So I looking forward to progress of the drug discovery project which uses Fugaku.