Molecular simulations reveal how an enzyme’s shape guides molecular recognition
Image: Phys.org
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- A Baylor College of Medicine-led team has developed a strategy that combines the analysis of thousands of proteins with artificial intelligence to accelerate the discovery of small molecules called molecular glues to treat disease. Their approach, published in Nature Communications, has uncovered…
- Enzymes are often described as molecular machines that recognize and process specific molecules. However, they are not rigid structures. Their shapes can change, affecting how molecules enter, interact with and remain within their active sites.