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Updated: Feb 13, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
Orsolya Polgar1, Robert W Robey, Susan E Bates
1National Cancer Institute, Medical Oncology Branch, Center for Cancer Research, NIH, 9000 Rockville Pike, Building 10, Room 13N240, Bethesda, MD 20892, USA.
The ATP-binding cassette transporter ABCG2 (ATP-binding cassette sub-family G member 2) affects drug transport and resistance. Its role in xenobiotic protection and stem cell biology requires further investigation.
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