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    Discovery of potent inhibitors for interleukin-2-inducible T-cell kinase: structure-based virtual screening and molecular dynamics simulation approaches

    In our study, a structure-based virtual screening study was conducted to identify potent ITK inhibitors, as ITK is considered to play an important role in the treatment of inflammatory diseases. We developed a...

    Chandrasekaran Meganathan, Sugunadevi Sakkiah, Yuno Lee… in Journal of Molecular Modeling (2013)