Binary quantitative structure-activity relationship analysis to increase the predictive ability of structure-based virtual screening campaigns targeting cyclooxygenase-2
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Retrospective validation of a structure-based virtual screening protocol to identify ligands for estrogen receptor alpha and its application to identify the alpha-mangostin binding pose
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PyPLIF-assisted redocking indomethacin-(R)-alpha-ethyl-ethanolamide into cyclooxygenase-1