Molecular simulations show how drugs block key receptors

Wednesday, June 24, 2020 - 11:20 in Physics & Chemistry

Many pharmaceuticals work by targeting what are known as 'G-protein-coupled receptors.' In a new study, scientists from Uppsala University describe how they have been able to predict how special molecules that can be used in new immunotherapy against cancer bind to these receptors. The researchers' calculation methods, presented in the journal Angewandte Chemie are a vital contribution to future structure-based drug design.

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