collaborators

1 paper

cs.DC2026

Scalable High-Fidelity Macromolecular Docking for GPU-Accelerated Supercomputers

Xiangyu Meng, Peng Chen, Mingzhen Li +7

Flexible macromolecular docking offers high-fidelity predictions of biomolecular interactions, but remains prohibitively expensive at scale. Among existing approaches, LightDock le…