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

Published in final edited form as: Curr Opin Struct Biol. 2017 Nov 5;48:40–48. doi: 10.1016/j.sbi.2017.10.008

Table 1.

IDP systems used in force field benchmark studies.

	Sequence	Exp. data	Force fields tested
RS peptide	GAMGPSYG(RS)₈	SAXS, NMR	ff99SB-ILDN^a, ff03w^c, ff03ws^c, C22^b, ^d, C36^a, ^b, C36m^b
Histatin 5	DSHAKRHHGYKRKFHEKHHSHRGY	SAXS, NMR	ff99SB-ILDN^a, ^d, ff99SBNMR-ILDN^a, G53a6^f, G54a7^f, ff03ws^b
Polygutamine	(Q)₃₀	FRET	ff99^a, ff99SB^a, ff99SB^a, ff03^a, ff03^a, ff03w^c, C22/CMAP^b, C22*^b, C36^a, G53a6^f, G54a7^f, OPLS-AA/L^e, C36m^b
β-amyloid	DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA	NMR	ff99SB^g, ff99SB-ILDN^g, ff99SBNMR-ILDN^g, C22^g, ^b, G53a6^f, OPLS-AA^a, ff99SB-ILDN^a, ff14SB^a
hIAAP	KCNTATCATQRLANFLVHSSNNFGAILSSTNVGSNTY	NMR	ff99SB-ILDN^a, ^e, ff03w^c, ^e, C22/CMAP^b, C22^b, ^e, G53a6^f, OPLS-AA/L^e

with the TIP3P water model;

CHARMM modified TIP3P water model;

TIP4P-2005 water model;

TIP4P-D water model;

TIP4P water model;

SPC water model;

TIP4P-Ew water model.