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Received — 4 April 2026 ⏭

Cell
Unified modeling of 3D molecular generation via atomic interactions with PocketXMol Xingang Peng · Ruihan Guo · Fenglin Guo · Ziyi Wang · Jiayu Sun · Jiaqi Guan · Yinjun Jia · Yan Xu · Yanwen Huang · Muhan Zhang · Jian Peng · Xinquan Wang · Chuanhui Han · Zihua Wang · Jianzhu Ma
A versatile, atom-level generative AI model enables unified pocket-interacting tasks, from docking to de novo design, and demonstrates robust experimental validation for both small-molecule and peptide therapeutics.
18 February 2026 at 08:00

Unified modeling of 3D molecular generation via atomic interactions with PocketXMol

Cell

By: Xingang Peng · Ruihan Guo · Fenglin Guo · Ziyi Wang · Jiayu Sun · Jiaqi Guan · Yinjun Jia · Yan Xu · Yanwen Huang · Muhan Zhang · Jian Peng · Xinquan Wang · Chuanhui Han · Zihua Wang · Jianzhu Ma

18 February 2026 at 08:00

A versatile, atom-level generative AI model enables unified pocket-interacting tasks, from docking to de novo design, and demonstrates robust experimental validation for both small-molecule and peptide therapeutics.