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Computational modeling of protein kinases: Molecular basis for inhibition and catalysis
作者: Yingting Liu
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参考文章
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Predicting relative binding affinities of non-peptide HIV protease inhibitors with free energy perturbation calculations
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Enzyme Motions Inside and Out
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Christopher W. Murray, Carol A. Baxter, A. David Frenkel,
The sensitivity of the results of molecular docking to induced fit effects: application to thrombin, thermolysin and neuraminidase.
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Bridging the Gap between Long Time Trajectories and Reaction Pathways
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10.1002/0471428019.CH3
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