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Employing Metadynamics to Predict the Membrane Partitioning of Carboxy-2H-Azirine Natural Products

By Conor Daly and others at
LogoHaverford College
and
LogoHaverford College in Pennsylvania
Natural products have diverse chemical structures and biological activities which often serve as sources of new therapeutic agents. Those containing a carboxy-2H-azirine moiety are an exciting target for investigation due in part to the broad-spectrum antimicrobial activity these compounds have and the significant chemical space for novel therapeutic development offered... Show more
April 16, 2024
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Employing Metadynamics to Predict the Membrane Partitioning of Carboxy-2H-Azirine Natural Products
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