Press release: Figuring out the 3-D shape of molecules with a push of a button

An international team of researchers led by Carnegie Mellon University chemist Roberto R. Gil and Universidade Federal de Pernambuco chemist Armando Navarro-Vázquez has developed a program that automates the process of figuring out a molecule's three-dimensional structure. The technique, described in a paper in Angewandte Chemie, compresses a process that usually takes days into minutes and could shorten the pipeline of drug discovery by reducing human error.

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