Subsequently, the docking poses giving the lowest binding free energy were selected and these values were used to establish a correlation with experimental data.
A general challenge is to compute the rate constants for hydride transfer for a range of enzyme variants of ADH and show a correlation with experimental data.
A correlation with personal data requiring special examination (e.g., fetal thyroid doses) was technically impossible with regard to the analyzed numbers of newborns in 1986 (> 130,000 babies).
To calculate the yield of TE from the relaxation time distributions, a correlation with the data acquired by H High Resolution (HR -NMR following tHR -NMRedure ofollowingthel. [ 65] was established.
The present findings also show that leakage of hypochlorite in the mutant R173A is higher than that in the wild-type protein although the MD simulations do not allow a correlation with experimental data since no recombination reaction can take place.
For Cu Al Be, this evolution has been shown to be correlated with positron annihilation data, while, for Cu Zn Al, a correlation with neutron diffraction data has been established.
If a large historical event has century-long after-effects, some models may have a good correlation with data from the 19th to early 20th century.
In addition a correlation with the transcriptomic data was conducted.
Also AHT duration (6 months versus 24 months) did not show a correlation with late toxicity (data not shown).
Although other NK-cell markers were measured, in this study we did not find a correlation with NK responsiveness (data not shown).
