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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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The development of an affinity evaluation and prediction system by using protein-protein docking simulations and

Koki Tsukamoto1, Tatsuya Yoshikawa, Kiyonobu Yokota

  • 1Computational Biology Research Center (CBRC), National Institute of Advanced Industrial Science and Technology (AIS T), Koto-ku, Tokyo, Japan.

Advances and Applications in Bioinformatics and Chemistry : AABC
|September 16, 2011
PubMed

Keywords:
FFTaffinity analysismassive parallel computingprotein-protein dockingprotein-protein interaction

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