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. Author manuscript; available in PMC: 2012 Oct 1.
Published in final edited form as: J Phys Chem B. 2011 May 27;115(24):7830–7837. doi: 10.1021/jp2020148

Table 1.

List of simulations. The number for each molecule in column 1 denotes the degree of polymerization for the PEG component; the molecular weight of the PEG is listed in column 2.

Name Mw Conc. of
DPPE-PEG
(mol%)
No. of lipids
No. of
simulations
Length of
each
trajectory
DPPC Charged
DPPE
DPPE
-PEG
DPPC - 10500 -    -    5 300

DPPE-PEG0 - 2.2 10269 231 -    3 300
10.5 9400 1100 -    3 300
27.4 7625 2875 -    3 300

DPPE-PEG12 550 2.2 10269 -    231 5 300
10.5 9400 -    1100 5 300
27.4 7625 -    2875 3 300

DPPE-PEG28 1250 2.2 10269 -    231 5 300
10.5 9400 -    1100 5 300
27.4 7625 -    2875 3 300

DPPE-PEG45 2000 2.2 10269 -    231 5 300
10.5 9400 -    1100 5 300
27.4 7625 -    2875 3 300
99.0 30 -    2970 1 300