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Author

Jianmin Wang

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Jul 2026

TPS-Flow: Physics-Guided Flow-Based Generative Modeling of Protein Transition Paths.

TPS-Flow is presented, a physics-guided flow-based generative framework for end point-conditioned conformational path sampling between predefined protein states (not equilibrium ensembles), thereby bridging atomistic simulation and deep generative modeling of protein transition paths.

Kai Xu, Likun Zhao, Yanan Tian et al. · 0 citations
Open access Aug 2026

NACraft: Programmatic nucleic-acid aptamer design via all-atom structure-model feedback

NACraft, a training-free and programmatic framework for all-atom nucleic-acid aptamer design based on backpropagation through structure-model feedback, is presented, demonstrating the effectiveness and versatility of NACraft and extending structure-model hallucination toward programmatic nucleic-acid aptamer design.

He-Qin Zhu, Jiaqi Wang, Wei-Bo Zhao et al. · 0 citations

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