Dataset S1: Transferability Validation of a Proline-Based Cheminformatics Framework for PEP Inhibitory Peptides
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资源简介：
Supporting dataset for the manuscript submitted to Journal of Cheminformatics. Contains protein database (1,697 entries), screening results (8,485 combinations), 215 peptide docking scores, in vitro validation data (n=20), MD simulation results (9 systems), interaction energy calculations, scramble docking results (77 peptides), scramble MD results (4 systems), statistical tests, and simulation parameters.
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Zenodo创建时间：
2026-07-06
