Table 2.
System setup of MD simulations
| PS only sulfate up | PS only sulfate down | GABA + PS sulfate up | GABA + PS sulfate down | |
|---|---|---|---|---|
| Simulation box | 118 Å x 118 Å x 188 Å | 118 Å x 118 Å x 188 Å | 120 Å x 120 Å x 183 Å | 120 Å x 120 Å x 183 Å |
| Number of atoms | 269496 | 269496 | 268076 | 268076 |
| Number of waters | 62349 | 62349 | 61958 | 61958 |
| Salt concentration | 150 mM NaCl | 150 mM NaCl | 150 mM NaCl | 150 mM NaCl |
| Number of lipids | 186 POPC | 186 POPC | 186 POPC | 186 POPC |
| 124 POPE | 124 POPE | 124 POPE | 124 POPE | |
| 26 POPS | 26 POPS | 26 POPS | 26 POPS | |
| 70 Cholesterol | 70 Cholesterol | 70 Cholesterol | 70 Cholesterol | |
| 20 Sphingomyelins | 20 Sphingomyelins | 20 Sphingomyelins | 20 Sphingomyelins | |
| 18 PIP2 | 18 PIP2 | 18 PIP2 | 18 PIP2 |