The development of molecular formulations that become drugs to treat or cure diseases is at the heart of the pharmaceutical industry.
Unfortunately, Computer-aided drug design techniques have hit the limits of classical computation. Exact methods are computationally intractable for standard computers, and approximate methods are often not sufficiently accurate when interactions on the atomic level are critical, as is the case for many compounds.
Quantum computers will soon become powerful tools in drug development, they can use their unique properties to efficiently simulate the complete problem, including interactions on the atomic level. This means:
Simulations of known molecules (as well as entirely new compounds) have the potential to be much faster and more accurate.
Quantum-computing applications for drug design are already being heavily investigated, such as modelling how proteins fold and how drug candidates interact with biologically relevant proteins.
As well as molecule discovery, quantum computers can also aid the clinical trials of pharmaceutical companies.
Testing drugs today requires a lot of trial-and-error test on human patients; this takes a lot of time, money and resources as well as creating risks for the people being tested. Quantum simulations would allow us to do more of these tests virtually which would decrease these factors, allowing the clinical trials to be conducted more quickly and safely.
Quantum Computing Use Cases Explained: Pharmaceuticals Infographic
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