St. Jude algorithm puts water to work in drug discovery (IMAGE)
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Water molecules represent a powerful but largely underappreciated foothold in drug binding studies. See how ColdBrew, an algorithm designed by corresponding author Marcus Fischer, PhD (left) and first author Justin Seffernick, PhD, (right), St. Jude Department of Chemical Biology & Therapeutics, and published today in Nature Methods, can provide accurate water displacement predictions for protein structures, providing a clearer landscape for drug discovery.
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St. Jude Children's Research Hospital
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