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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Exploration of the binding of curcumin analogues to human P450 2C9 based on docking and molecular dynamics simulation

Rongwei Shi1, Yin Wang, Xiaolei Zhu

  • 1State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemistry and Chemical Engineering, Nanjing University of Technology, Nanjing, China.

Journal of Molecular Modeling
|November 15, 2011
PubMed

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