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. 2009 Apr 22;96(8):3140–3153. doi: 10.1016/j.bpj.2009.01.040

Table 5.

Number of water molecules in the first hydration shell of the DMPC headgroup (PO4−, C=O)–water (OW), and of one of the AR hydroxyl groups (OH)

System pureDMPC symmRes11 symmRes19 symmRes25
PO4− 5.00 4.9 4.5 4.7
C=O 2.00 1.6 1.8 1.8
OH 0.8 0.8 0.8