arXiv AI By Xiangyu Meng, Peng Chen, Mingzhen Li, Jianmin Wang, Sen Wang, Guangming Tan, Weile Jia, Mohamed Wahib, Tao Luo, Xun Wang

Scalable High-Fidelity Macromolecular Docking for GPU-Accelerated Supercomputers

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arXiv:2608. 07078v1 Announce Type: cross Abstract: Flexible macromolecular docking offers high-fidelity predictions of biomolecular interactions, but remains prohibitively expensive at scale.

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