Table 1.

Summary of the systems studied

Simulation Type/time	Membrane/solvent	Protein	Additive
2 x 1 μs unbiased	POPC	–	–
2 x 1 μs unbiased	POPC	LL37	–
2 x 1 μs unbiased	POPG	–	–
2 x 1 μs unbiased	POPG	LL37	–
2 x 1 μs unbiased	POPC	–	niacinamide
13 × 40 ns PMF	POPC	–	niacinamide
2 x 1 μs unbiased	POPC	–	N-methylnicotinamide
13 × 40 ns PMF	POPC	–	N-methylnicotinamide
2 x 1 μs unbiased	POPC	–	isonicotinamide
13 × 40 ns PMF	POPC	–	isonicotinamide
2 x 1 μs unbiased	POPG	–	niacinamide
13 × 40 ns PMF	POPG	–	niacinamide
2 x 1u μs unbiased	POPG	LL37	niacinamide
2 x 1 μs unbiased	POPG	–	N-methylnicotinamide
13 × 40 ns PMF	POPG	–	N-methylnicotinamide
2 x 1 μs unbiased	POPG	LL37	N-methylnicotinamide
2 x 1 μs unbiased	POPG	–	isonicotinamide
13 × 40 ns PMF	POPG	–	isonicotinamide
2 x 1 μs unbiased	POPG	LL37	isonicotinamide
2 x 1 μs unbiased	water	LL37	niacinamide
2 x 1 μs unbiased	methanol	LL37	niacinamide
2 x 1 μs unbiased	octanol	LL37	niacinamide
2 x 1 μs unbiased	water	LL37	N-methylnicotinamide
2 x 1 μs unbiased	methanol	LL37	N-methylnicotinamide
2 x 1 μs unbiased	octanol	LL37	N-methylnicotinamide
2 x 1 μs unbiased	water	LL37	isonicotinamide
2 x 1 μs unbiased	methanol	LL37	isonicotinamide
2 x 1 μs unbiased	octanol	LL37	isonicotinamide