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      <title>DHFR demonstration campaign</title>
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      <pubDate>Thu, 03 Sep 2026 00:00:00 +0000</pubDate>
      <description>The full pipeline run end to end on one target, calibrated on 1,003 measured compounds and benchmarked against nine scoring methods.</description>
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      <pubDate>Thu, 03 Sep 2026 00:00:00 +0000</pubDate>
      <description>Seven stages from SMILES to systems biology.</description>
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      <description>Deterministic orchestration of open-source tools into one auditable compound-prioritisation workflow. Manuscript and poster.</description>
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      <pubDate>Wed, 13 May 2026 00:00:00 +0000</pubDate>
      <description>A multi-scale protocol combining molecular dynamics, metadynamics, MM-GBSA and electronic-structure descriptors. Preprint and poster.</description>
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      <description>Machine learning as the signal that decides where expensive computation is worth spending. Manuscript and poster.</description>
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