Computational Large-Scale Screening of Bioorthogonal 1,2,4,5-Tetrazine/trans-Cyclooctene Cycloadditions
Dennis Svatunek
Abstract:Bioorthogonal reactions between 1,2,4,5-tetrazines and trans-cyclooctenes have emerged as valuable chemical tools in the fields of chemical biology and material science, and they hold significant potential for medical applications. The most critical attribute of such reactions is their rate. Experimental investigations into the reactivity of 1,2,4,5-tetrazines are time-consuming and costly. In contrast, computational screenings can rapidly identify reactants that exhibit desired reactivity. In this study, we i… Show more
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