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Nature Reviews Drug Discovery 6, 251 (March 2007) | doi:10.1038/nrd2271

Computational chemistry

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Identifying molecules that might fulfil the stringent criteria necessary to become a drug from the vast number of possibilities has often been likened to searching for a needle in a haystack. Two computational chemists with a focus on drug discovery, Yvonne Martin and Brian Shoichet, discuss what attracts them to working on strategies to cut the haystack down to size.

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