Table 1 Agreement between calculated and experimental NMR chemical shifts from the 300 K replica of a 74 μs unbiased REST2 MD simulation of Tau-5_{R2_R3} employing the a99SB-disp force field and from a maximum-entropy reweighted ensemble derived using Cα NMR chemical shifts as restraints

From: Small molecules targeting the disordered transactivation domain of the androgen receptor induce the formation of collapsed helical states