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Hwee Kuan Lee

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Open access Aug 2026

Multi-solvent conformational ensembles for predicting cyclic peptide permeability

This resource is designed to facilitate the development of deep learning models that incorporate 3D or 4D (trajectory- or ensemble-based) information to improve the prediction of cyclic peptide membrane permeability.

Wei Liu, Pham Hung Nguyen, Chandra S. Verma et al. · Scientific Data · 0 citations