HIGHLIGHTS
- who: Fabio Pietrucci from the UPMC University have published the paper: HIV-1 Protease Dimerization Dynamics Reveals a Transient Druggable Binding Pocket at the Interface, in the Journal: Scientific Reports Scientific Reports
- what: The authors report here detailed binding interactions between each inhibitor and the S2C binding pocket, as observed during the MD simulations employed in the MM-GBSA calculation (only few contacts differ from the starting configuration obtained with Autodock Vina). This study provides atomically detailed insight on the binding mechanism between protease monomers, and it may help explaining several remarkable experimental results that . . .
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