Zhijun Wu - Backbone Alignment Modeling of the Structure-Activity Relationships of Opioid Ligands

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      Publication Details (including relevant citation   information):

            Wu, Z.; Hruby, V. J., Backbone Alignment Modeling of the         Structure-Activity Relationships of Opioid Ligands. Journal         of Chemical Information and Modeling 2011, 51, (5),         1151-1164.      


      Opioid studies are an important area of modern medicinal   chemistry research. In this study we have provided innovative   considerations to some long-standing problems in opioid studies,   specifically the opioid pharmacophore and the potential binding   modes of opioid ligands. Based on a new peptide   backbone-alignment concept that we have developed along with this   study, we discuss a wide variety of opioid ligands with respect   to their structure–activity relationships.

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