Author

Si-Cheng Wen

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Open access Sep 2026

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

Abstract Motivation Accurate prediction of B-cell epitopes is essential for antibody design and vaccine development, yet remains fundamentally challenging. A major but often overlooked limitation of existing predictors is their implicit assumption that epitope identity can be decomposed into independent residue-level s...

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