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New computer modeling could boost drug discovery

October 27, 2021

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Scientists from Queen’s University Belfast have developed a computer-aided data tool that could improve treatment for a range of illnesses.

The computer modelling tool will predict novel sites of binding for potential drugs that are more selective, leading to more effective drug targeting, increasing therapeutic efficacy and reducing side effects.

The data tool or protocol will uncover a novel class of compounds — allosteric drugs in G protein-coupled receptors (GPCRs).

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