. Author manuscript; available in PMC: 2019 Oct 1.

Published in final edited form as: Biochim Biophys Acta Biomembr. 2018 May 3;1860(10):2094–2107. doi: 10.1016/j.bbamem.2018.04.015

Table 1.

All-atom simulations of APOA1 (A1) and mimetic peptides in nanodiscs with different initial configurations. The two peptides discussed here are neu: NH₃⁺-EKLKELLEKLLEKLKELL-COO⁻; and neg: NH₃⁺-EELKEKLEELKEKLEEKL-COO⁻.

#	Stoichiometry		Initial Condition	Time
1^a	200:20:2	POPC:UC:A1	planar double belt	10 μs
2	200:20:2	POPC:UC:A1	uneven double	10 μs
3	200:20:26		picket fence	5 μs
4	200:20:26		belt	5 μs
5^b	150:15:24		surface	3 μs
6	150:15:18		surface	3 μs
7	200:20:26		picket fence	2 μs
8	200:20:26		belt	2 μs
9_SGLD	150:15:24		surface	40 ns
10_SGLD	200:20:26		belt	40 ns
11_SGLD^c	80:1	DOPC:WALP	periodic bilayer	20 ns

Reported in Ref. [35].

First 2 μs reported in Ref. [31].

Includes 7 simulations; see Table 2.