How are quantum computers being used in drug design? They are not. Because useful quantum computers do not exist yet. Ask again in a couple decades :)


There are two parameters that are important in such a question: the number of molecules and the size of the systems. There are some approach used to test a molecule. One is using databases with thousand of molecules. One example of such database is Zinc that have 230M 3D structures that can be downloaded and freely used. The other approach is the ...


In my opinion, there are no new drug molecules totally designed by computer. These designed drug molecules with CADD must be tested with many experiments. Here is a review paper about the current and future of CADD: https://www.sciencedirect.com/science/article/pii/B978012816125800002X And take a look at Wikipedia: https://en.wikipedia.org/wiki/Drug_design. ...

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