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. 2017 May 9;8:252. doi: 10.3389/fphys.2017.00252

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Copyright © 2017 Rissanen, Grzybek, Orłowski, Róg, Cramariuc, Levental, Eggeling, Sezgin and Vattulainen.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Simulation results gauging the dependence of GM1-CTxB binding on membrane environment in simulations of systems with CTxB. (A) Snapshots of simulated membrane systems at 0 (left) and 500 ns (right) in Ld (upper) and Lo (lower) phases (Lo composition: 46 mol% Chol, 46 mol% SSM, and 8 mol% GM1 (or bdGM1); Ld composition: 92 mol% DOPC and 8 mol% GM1 (or bdGM1)). DOPC is depicted in brown, cholesterol in red, SSM in yellow, and GM1 in orange. Water molecules are not shown for clarity. (B) Time course of the number of hydrogen bonds established between GM1 species and CTxB. Each case was simulated three times. (C) Average number of hydrogen bonds (H bonds) established between GM1 species and CTxB between 300 and 1,000 ns. The error bar represents the standard error.