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FDB&FragLinker:一个大型碎片数据库,用于蛋白质-连接体复合体内的快速连接体优化

Lei Zheng1, Qisheng Zhou2, Tianxiang Fu3

  • 1NYU-ECNU Center for Computational Chemistry, NYU Shanghai, Shanghai 200124, China; Department of Chemistry, New York University, NY, NY 10003, USA.

Journal of molecular biology
|March 9, 2026
PubMed
概括

基于碎片的药物设计得到了FDB&FragLinker的增强,FDB&FragLinker是探索和重组分子碎片的工具. 这种共价对接方法比其他方法更快地产生高质量的3D连接体复合体.

关键词:
一个碎片数据库数据库.连接体优化优化 连接体优化蛋白质 - 连接体复合体结构生成 结构生成

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