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||Vorobyov I. et al., Ion-induced defect permeation of lipid membranes. Biophys J. 2014 Feb 4 106(3):586-97. doi: 10.1016/j.bpj.2013.12.027. Supporting material p.10 table S1PubMed ID24507599
||Abstract: "[Investigators] have explored the mechanisms of uncatalyzed membrane ion permeation using atomistic simulations and electrophysiological recordings." P.586 left column top paragraph: "Here [investigators] have used molecular dynamics (MD) simulations and electrophysiological measurements to better understand and quantify charge-membrane transport processes."
||Supporting material P.3 2nd paragraph: "Coordination numbers (Fig. S5) were determined by calculating the number of atoms within the 1st minimum of the ion-component radial distribution function (RDF) (Table S1). Coordination numbers for GuanH+ were calculated with respect to nitrogen atoms of NH2 groups, however, coordination numbers with respect to the central guanidine C atom (as in [investigators'] previous studies (supporting info refs 4, 7)) are shown in Fig. S4A (solid curves)." See notes beneath table. GuanH+=[arginine side chain analog guanidinium]