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HIV reverse transcriptase. Predicted pockets and ligands on HIV reverse transcriptase ([PDB:3I0R]). Compound RT3 at the allosteric site is shown in ‘sticks’ representation, while residues in red correspond to the CSA [21] active site annotations. Predicted pockets (geometric centers) are shown in ‘spheres’ representation, the pocket in orange color affected protein flexibility significantly according to our simulations, while yellow did not.
