Simulations of the bis-penicillamine enkephalin in sodium chloride solution: a parameter study.


A simulation study of DPDPE in sodium chloride solution has been performed and compared with previous simulations using a different interaction potential for the ions. Both global thermodynamics as well as a characterization of association to DPDPE have been calculated. We show that the parameters used for the ions have a profound effect on the association… (More)


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