2026-10-13T00:22:24Z https://www.scidb.cn/oai

10.57760/sciencedb.36552 2026-05-11T16:12:09Z

2026-05-11 Raw data of network pharmacology, molecular docking, and molecular dynamics simulation for Qu's Formula 3 improving endometrial receptivity in polycystic ovary syndrome doi:10.57760/sciencedb.36552 en This dataset supports the manuscript entitled "Mechanisms of Qu's Formula 3 for improving Endometrial Receptivity in PCOS: A Combination of Network Pharmacology and Molecular Dynamics Simulation". It includes raw data from: active ingredient screening of QUF3, drug and disease target lists, herb‑constituent‑target (H‑C‑T) network, protein‑protein interaction (PPI) network, Gene Ontology (GO) and KEGG pathway enrichment results, molecular docking binding energy tables, and molecular dynamics (MD) simulation outputs (RMSD, Rg, SASA, hydrogen bonds, PCA, FEL, DCCM). All data are computational predictions and have not been experimentally validated. Detailed methods and parameters are described in the Materials and Methods section of the paper. Network pharmacology; Molecular dynamics simulation; Endometrial receptivity Fan Qu Ying Li PUBLIC https://creativecommons.org/licenses/by-nc/4.0/ dataset Science Data Bank