"protein dynamics" Papers

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Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows

Xiangxin Zhou, Yi Xiao, Haowei Lin et al.

ICLR 2025arXiv:2503.03989
2
citations

Non-stationary Equivariant Graph Neural Networks for Physical Dynamics Simulation

Chaohao Yuan, Maoji Wen, Ercan KURUOGLU et al.

NEURIPS 2025oral