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Using a computationally driven approach, a class of inhibitors with picomolar potency known as the catechol diethers were developed targeting the non‐nucleoside‐binding pocket of HIV‐1 reverse transcriptase. Computational studies suggested that halogen‐bonding interactions between the C5 substituent of the inhibitor and backbone carbonyl of conserved residue Pro95 might be important. While the recently...
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