Skip to main content
. 2019 Apr 30;116(11):2131–2148. doi: 10.1016/j.bpj.2019.04.024

Table 1.

Overview of Conducted Simulations

System Purpose Replicas per Temperature Length Temperatures Total Number
DPPCgf Gel-fluid interface 1 100 ns 280/360 K 1
DPPCgf Determination of Tm 1 100 ns 314–330 K (ΔT = 2 K) 9
DPPCgf Electroporation 3 × 10a ≤100 nsb 321 K (= Tm) 30
DPPCgf Pore closure 1 100 ns 321 K (= Tm) 1
DPPCf Nanodomain formation 1 500 ns 322, 326, 330, 335, 340 K 5
DPPCsf Electroporation 3 × 10a ≤100 nsb 322, 330, 335, 340 K 120
DPPCf Electroporation 3 × 10a ≤100 nsb 322, 335 K 60
a

10 replica simulations were performed each starting from three different configurations.

b

Simulations were conducted until 100 ns or stopped after an electropore formed.