{
  "id": 14355862,
  "title": "Prospective discovery of LasB inhibitors by integrating generative design, free energy ranking, and experimental validation",
  "url": "https://urgent.news/2026/10/13/prospective-discovery-of-lasb-inhibitors-by-integrating-generative",
  "topic": "science",
  "section": "Science",
  "published": "2026-10-13T00:00:00.000Z",
  "source": {
    "name": "bioRxiv",
    "slug": "biorxiv",
    "url": "https://www.biorxiv.org/content/10.64898/2026.10.12.758448v1?rss=1"
  },
  "original_language": "en",
  "account": null,
  "summary": "Identifying synthetically accessible, potent ligands from vast chemical space remains a major challenge in drug discovery, particularly because experimental synthesis and testing are costly and low throughput. Here, we present a fully open-source computational-experimental workflow that integrates fragment-based de novo molecular design with rigorous alchemical absolute binding free-energy…",
  "key_points": [],
  "editors_take": null,
  "illustration": null,
  "coverage": {
    "outlets": 1,
    "also_reported_by": []
  },
  "ai_generated": true,
  "disclaimer": "Summaries, key points and the editor’s take are written by software from other outlets’ reporting and may contain errors — always check the linked original."
}