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. 2014 Nov 20;10(11):e1003987. doi: 10.1371/journal.pcbi.1003987

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© 2014 Äijänen et al

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

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A) Atomic RMS fluctuation profiles for DOPCs (atoms 7441–7716) during the long 200 simulations. The peaks indicate the atoms that fluctuate the most over the course of simulations. The positions of DOPC headgroups and sn-2 chains with respect to atom numbers are labeled. The headgroup _N and the sn-2_N chain correspond with the headgroup and the sn-2 chain of the N-terminal DOPC, while the headgroup _C and the sn-2_C chain correspond with the C-terminal DOPC, see Figure 1A. B) Spatial density maps for DOPCs and CEs. The map reveals the movement of the corresponding lipid inside the binding pocket of CETP.

Inline graphic — A) Atomic RMS fluctuation profiles for DOPCs (atoms 7441–7716) during the long 200 simulations. The peaks indicate the atoms that fluctuate the most over the course of simulations. The positions of DOPC headgroups and sn-2 chains with respect to atom numbers are labeled. The headgroup _N and the sn-2_N chain correspond with the headgroup and the sn-2 chain of the N-terminal DOPC, while the headgroup _C and the sn-2_C chain correspond with the C-terminal DOPC, see Figure 1A. B) Spatial density maps for DOPCs and CEs. The map reveals the movement of the corresponding lipid inside the binding pocket of CETP.