2025 "molecular dynamics simulation" Papers

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Paper Type

poster (24,624)paper (8,140)oral (1,594)spotlight (1,421)highlight (975)

FlashMD: long-stride, universal prediction of molecular dynamics

Filippo Bigi, Sanggyu Chong, Agustinus Kristiadi et al.

NeurIPS 2025spotlightarXiv:2505.19350
7
citations

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

Xiangxin Zhou, Yi Xiao, Haowei Lin et al.

ICLR 2025posterarXiv:2503.03989
1
citations