{
  "id": 14179287,
  "title": "Pocket-Conditioned Generation and Down-Selection of Non-Oxime Reactivators",
  "url": "https://urgent.news/2026/10/13/pocket-conditioned-generation-and-down-selection-of-non-oxime",
  "topic": "science",
  "section": "Science",
  "published": "2026-10-13T00:00:00.000Z",
  "source": {
    "name": "bioRxiv",
    "slug": "biorxiv",
    "url": "https://www.biorxiv.org/content/10.64898/2026.10.09.758041v1?rss=1"
  },
  "original_language": "en",
  "account": null,
  "summary": "Acetylcholinesterase reactivation is a structure-constrained design problem in which chemical plausibility, access to central nervous system, pocket compatibility, and reactivation geometry must be considered together. We report a computational workflow for generating and down-selecting candidate non-oxime reactivators in the paraoxon-inhibited human acetylcholinesterase pocket. For generating…",
  "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."
}