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Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and Computation

Shunzhou Wan, Agastya Bhati, Sarah Skerratt, Kiyoyuki Omoto, Veerabahu Shanmugasundaram, Sharan K. Bagal, Peter V. Coveney. Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and Computation. Journal of Chemical Information and Computer Sciences, 57(4):897-909, 2017. [doi]

Authors

Shunzhou Wan

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Agastya Bhati

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Sarah Skerratt

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Kiyoyuki Omoto

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Veerabahu Shanmugasundaram

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Sharan K. Bagal

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Peter V. Coveney

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