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Guanidinium Pairing Facilitates Membrane Translocation

Allolio, Christoph ; Baxova, Katarina ; Vazdar, Mario ; Jungwirth, Pavel


Ab initio free energy calculations of guanidinium pairing in aqueous solution confirm the counterintuitive conjecture that the like-charge ion pair is thermodynamically stable. Transferring the guanidinium pair to the inside of a POPC lipid bilayer, like-charge ion pairing is found to occur also inside the membrane defect. It is found to contribute to the nonadditivity of ion transfer, thereby ...


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