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Screening

 

Medical screening is a strategy used to identify the possible presence of an as-yet-undiagnosed disease in individuals without signs or symptoms.

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Fast, scalable free energy prediction with nonequilibrium switching

24 November 2025 | By ,

Nonequilibrium switching (NES) offers a faster, more scalable way to predict how strongly drugs bind to their targets. By replacing slow equilibrium simulations with rapid, parallel transitions, NES delivers accurate free energy predictions at speed.