Quantum Chemistry in Drug Discovery - by Corin Wagen

How it's used at present, and opportunities for the future.

EDIT: An updated version of this white paper, complete with updated links, is available on our website. Quantum chemistry—using quantum mechanics to model molecules and molecular processes—is a cornerstone of modern computational chemistry. This document aims to summarize the state-of-the-art of quantum chemistry, describe its existing applications to drug discovery, and imagine what the future of quantum chemistry for drug discovery might look like. The key conclusions are that (1) quantum chemistry is important to drug discovery and (2) improved quantum chemical software for drug…

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