Comparative analysis of plasticity-based GND density estimation methods in crystal plasticity finite element models

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2 月 18 日,清华大学的马剑竹和王新泉、首都医科大学宣武医院的王子华、北京大学的韩传辉和彭新港等人,联合在《细胞》(Cell)发表论文Unified modeling of 3D molecular generation via atomic interactions with PocketXMol,提出了一个统一了蛋白质口袋相互作用相关的生成任务的原子级生成模型PocketXMol,通过使用原子提示作为任务指令,可支持包括小分子和多肽的结构预测以及从头设计,无需针对特定任务进行微调。

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