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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.

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Transforming central labs with automation and AI: setting new standards for modern trials

19 November 2025 | By

Demands on central laboratories are consistently increasing, heightening the challenge to deliver operational excellence and the highest standard of scientific integrity with both speed and agility. ICON Laboratories is transforming the way we leverage data and intelligent operational models to meet evolving trial needs.

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Using knowledge graphs in drug discovery (Part 1): how they link to large language models

21 April 2025 | By ,

In this first interview of a two-part series, Andreas Kolleger explores the convergence of knowledge graphs and large language models. As the head of GenAI innovation at Neo4j, Andreas brings a unique cross-industry perspective on how these technologies can enhance life sciences workflows.