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Adaptive BP-Dock: An Induced Fit Docking Approach for Full Receptor Flexibility

Ashini Bolia1, S Banu Ozkan2

  • 1Department of Chemistry and Biochemistry, Arizona State University , Tempe, Arizona 85287, United States.

Journal of Chemical Information and Modeling
|March 15, 2016
PubMed
Summary

Adaptive BP-Dock improves drug discovery by simulating protein and ligand changes during docking. This flexible approach enhances accuracy for identifying novel drug targets.

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