Molecular Dynamics Simulation and Free Energy Calculation Studies of the Binding Mechanism of Allosteric Inhibitors with p38α MAP Kinase

Ying Yang, Yulin Shen, Huanxiang Liu, Xiaojun Yao. Molecular Dynamics Simulation and Free Energy Calculation Studies of the Binding Mechanism of Allosteric Inhibitors with p38α MAP Kinase. Journal of Chemical Information and Computer Sciences, 51(12):3235-3246, 2011. [doi]

Authors

Ying Yang

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Yulin Shen

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Huanxiang Liu

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Xiaojun Yao

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