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. 2023 Nov 16;19(22):8384–8400. doi: 10.1021/acs.jctc.3c00637

Table 1. Atomistic Target System Detailsa.

system lipids no. of TIP3P no. of NA no. of CL T/K simul time/ns
DPSM128 328 K 128 SSM 5120     328.15 150
POPC SSM CHOL 100 POPC 100 SSM 100 CHL1 9000 18 18 321.15 300
a

In the naming scheme of the CHARMM FF, SSM and CHL1 denote sphingomyelin (18:0) and cholesterol, respectively.