Unbinding Dynamics of Large HIV Non-Nucleoside Reverse Transcriptase Inhibitors Revealed by Atomistic Milestoning Simulations
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Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are a key component of anti-HIV therapy. Large and flexible NNRTIs, such as JLJ636, offer potential advantages in retaining efficacy against drug-resistant mutations in HIV reverse transcriptase. However... ...
