https://www.selleckchem.com/pr....oducts/ly2109761.htm
Not surprisingly, all seven force fields predict the autocorrelation functions for the more motionally-restricted 1Hα-13Cα and 1Hβ-13Cβ bond vectors with reasonable accuracy. However, for the 1Hβ-13Cβ bond vectors exhibiting aggregate order parameter S2 values less than 0.85, only 1% of the MD-derived predictions lie with 1 σ of the experimentally determined autocorrelation functions and only 7% within 2 σ. On the other hand, substantial residue type-specific improvements in predictive performance were observed among the recent AMBER
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