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Updated: May 17, 2025

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维纳-CUDA:一个高效的程序,深入利用GPU加速分子对接

Chunfeng Li1, Yizhuo Wang1, Hongbo Xing1

  • 1School of Computer Science and Technology, Beijing Institute of Technology, No. 5 Zhongguancun South Street, Haidian District, Beijing 100081, China.

Journal of chemical information and modeling
|May 16, 2025
PubMed
概括

我们开发了Vina-CUDA,这是一个GPU加速的分子对接工具,以加快药物发现速度. 这种增强的计算能力显著加速了大型化学库的虚拟选,提高了药物开发效率.

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