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Representative coordinating compounds identified in the virtual screens to HIVPR (top) and PARP1 (bottom) with a significant solvated electrostatic (ES) footprint overlap. Coordinating compounds in cyan, water-mediated H-bonding in dashed lines, and binding pocket residues in gray. Bottom panels show the solvated ES footprints for each coordinating compound (blue line) vs the COOR reference (red line).
