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. 2019 Dec 23;117(1):405–414. doi: 10.1073/pnas.1908848117

Table 1.

Simulation parameters for the 4 5-HT3A systems simulated with membranes composed of POPC, SDPC, and CHOL or POPC only

System No. POPC No. SDPC No. CHOL No. of waters No. of ions (Cl/K+) Time, μs
5-HT3A-Apo 126 126 108 43,395 138/163 20
5-HT3A-5mM 126 126 108 48,528 150/170 15
5-HT3A-15mM 126 126 108 48,994 153/163 15
5-HT3A-5mM-POPC 250 0 0 41,552 132/152 15

Abbreviations: CHOL, cholesterol; POPC, 1-palmitoyl-2-oleoyl-SN-glycero-3-phosphocholine; SDPC, 1-stearoyl-2-docosahexaenoyl-sn-glyerco-3-phospho-choline.