Publications

(2024). DeepBioisostere: Discovering Bioisosteres with Deep Learning for a Fine Control of Multiple Molecular Properties. arXiv.

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(2024). 3D Molecular Generative Framework for Interaction-guided Drug Design. Nat. Comm..

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(2022). Photoimmunotherapy Retains Its Anti-Tumor Efficacy with Increasing Stromal Content in Heterotypic Pancreatic Cancer Spheroids. Mol. Pharmaceutics.

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(2022). PIGNet: A physics-informed deep learning model toward generalized drug-target interaction predictions. Chem. Sci..

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(2013). An example conference paper. In ICW.

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