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. Author manuscript; available in PMC: 2020 Jul 21.
Published in final edited form as: Soft Matter. 2020 May 21;16(21):4941–4954. doi: 10.1039/d0sm00267d

Table 1.

Summary of systems and simulation runs

Bilayer construction
Bilayer PIP2% CHL% DOPE% DOPS%
1 20 0 55 25
2 30 20 30 20
3 20 20 40 20
4 10 20 50 20
MD simulation run GROMACS-CHARMM36 force field
Run length Ns per day ff of atoms # water molecules #CPUS
150 ns 10 ns 65 699 3845 16–32