ColdBrew algorithm puts water to work in drug discovery

Every protein in the body is encased in a water shell that directs protein structure, provides vital stability and steers function. Because of this, water molecules represent a powerful but largely underappreciated foothold in drug binding studies. Yet structural data about these water networks, usually collected at freezing temperatures, often carry temperature-based structural artifacts.

Jun 27, 2025 - 15:30
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Every protein in the body is encased in a water shell that directs protein structure, provides vital stability and steers function. Because of this, water molecules represent a powerful but largely underappreciated foothold in drug binding studies. Yet structural data about these water networks, usually collected at freezing temperatures, often carry temperature-based structural artifacts.