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    Structural mechanism of S-adenosyl methionine binding to catechol O-methyltransferase. by Douglas Tsao, Luda Diatchenko, Nikolay V Dokholyan

    Published 2011-01-01
    “…The kinetics of several methyltransferases has been well characterized; however, the details regarding their structural mechanisms have remained unclear to date. Using catechol O-methyltransferase (COMT) as a model, we perform discrete molecular dynamics and computational docking simulations to elucidate the initial stages of cofactor binding. …”
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