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Drug Design on Quantum Computers

Raffaele Santagati
Alán Aspuru-Guzik
Matthias Degroote
Leticia Gonzalez
Elica Kyoseva
Nikolaj Moll
Markus Oppel
Robert Parrish
Michael Streif
Christofer Tautermann
Horst Weiss
Nathan Wiebe
Clemens Utschig-Utschig
arXiv:2301.04114 (2023)


Quantum computers promise to revolutionise several fields for which quantum chemical calculations are required, providing new insights into the properties of chemical systems. Computer-aided drug design could take advantage of such accurate chemical calculations. This perspective explores the demands on quantum computing from the pharmaceutical industry, where quantum computers could transform industrial research and what is needed to reach this goal.

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