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24 November 2025 | By Dr Agnes Huang (Lead Application Scientist - Cadence Molecular Sciences (OpenEye)), Dr Paul Hawkins (Scientific Product Evangelist Architect - Cadence Molecular Sciences (OpenEye))
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.
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