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(a) Cross-section of potential of mean force maps for K+ ions. (b) Cross-section of potential of mean force maps for Glu− ions. The energy landscape for ions exhibit higher, more unfavorable values for positive ions inside the cytoplasmic domain and, conversely, lower, more favorable values for negative ions. Indeed, in the molecular dynamics simulations for the three bias conditions tested, anions congregated in the cytoplasmic domain and sterically hindered the passage of cations.
