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Schematic representation of halogen’s (X) dual role as an H-bond acceptor and X-bond donor in biomolecular systems. The halogen electrostatic potential is depicted gradually from negative (red) to positive (blue) demonstrating the charge anisotropic distribution (sigma hole). The X bond (red dotted line) and the H bond (blue dotted line) are directed towards an appropriate X bond acceptor and H bond donor respectively.
