Author

Sicheng Wen

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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