Automating Molecular Structure Analysis
August 1, 2017 | Terry Sharrer
Determining the interaction between a molecule and its cellular receptor often is likened to a key and lock metaphor; the structures have to “fit” each other. To make that analysis automated, researchers at Carnegie Mellon University and the Federal University of Pernambuco (Recife, Brazil) have developed a computer program that first determines the one and two dimensional configurations, and then predicts the possible third dimension. Instead of taking days to make these determinations, the automated process requires only minutes. MORE
Image Credit: Adcx, MindZiper and Carnegie Mellon Research News