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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

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Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes

Xun Li1, Yan Li, Tiejun Cheng

  • 1State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, People's Republic of China.

Journal of Computational Chemistry
|February 4, 2010
PubMed

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