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. 2014 Nov 18;107(10):L25–L28. doi: 10.1016/j.bpj.2014.10.001

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© 2014 The Authors

This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/3.0/).

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In-plane solvation of R534 guanidine in the charge transfer center during the hERG model MD (A). (Dotted lines) H-bond distances of <2.5 Å. The right-hand group consists of top-down (B) and end-on (C) views of the distribution of oxygen atoms around the side chain of hERG R534 at 20-ns intervals during MD (subunit a). (D) End-on view of equivalent atom distributions around the K302 side chain during the Kv1.2/2.1 chimera MD (subunit c). (Red spheres, water O; pink, Asp OD1 and OD2; purple:, Glu OE1 and OE2.)