Author

Yue Qian

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Open access Sep 2026

PatchEpi: patch-aware equivariant learning improves structure-based epitope prediction

PatchEpi, a patch-aware geometric deep learning framework for antigen-intrinsic epitope modeling, is introduced and it is demonstrated that accurate epitope prediction benefits primarily from reformulating the task around surface-patch learning.

Si-Cheng Wen, Fei Li, Yue Qian · Bioinformatics · 0 citations

Jul 2026

EnsembleCycPerm: Interpretable Modeling of Cyclic Peptide Permeability through Solvent-Dependent Conformational Ensembles.

It is demonstrated that permeability emerges from ensemble reorganization rather than a single conformational transition, establishing a generalizable framework for cyclic peptide design and ADMET prediction.

Sicheng Wen, Yang Wang, Yue Qian · Journal of Chemical Informat... · 0 citations