Integrating computational methods guided the discovery of phytochemicals as potential Pin1 inhibitors for cancer: pharmacophore modeling, molecular docking, MM-GBSA calculations and molecular dynamics studies

Abdulrahim A. Alzain, Fatima A. Elbadwi, Tagyedeen H. Shoaib, Asmaa E. Sherif, Wadah Osman, Ahmed Ashour, Gamal A. Mohamed, Sabrin R.M. Ibrahim, Eun Joo Roh, Ahmed H.E. Hassan

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Chemistry

Pharmacology, Toxicology and Pharmaceutical Science