Structural liabilities can be assessed by computing a variety of different parameters, such as structural alterations to key regions of the molecule (i.e., residues in close proximity to domain interfaces) or by assessing alterations in domain-domain interactions (i.e., energies of interaction or changes alterations in hydrogen bonds).
The comparison is then conducted by computing a numerical similarity of the parameter sets of the two compared atoms.
The author could do this by computing a structure with the symmetry parameters from Wu et al. imposed on the EMPIAR data set from Xu et al. (which he has already been analyzing).
The analytical procedure is described employing the experimental data obtained from a gas nitrided AISI H11 steel (X38CrMoV5.1), and has been validated by computing a rough estimate of the diffusivity parameters of nitrogen in the α-Fe matrix.
The cosinor method estimates parameters representing cyclic events by computing a least squares fit of a cosine function.
Finite element computation is used as a multiscale process, firstly by computing orthotropic parameters at a micro-scale for hundreds of bi-phasic 3D domains composing the macrostructure of the composite at all studied positions.
Event-related effects were analyzed by computing parameter estimates for each time point within the hemodynamic response epoch (i.e., 10 delta-function regressors, one for each of the 10 TRs; total 25s).
Performance on digit and letter identification in hidden object tasks was assessed by computing the d' parameter from signal detection theory, as the difference between z scores for hits and false alarms (d' = zhit – zfalse alarm).
Under our Centralized Algorithm 2, each base station calculates its weight level by computing the parameters ratio(i), P min ( i ) and P max ″ ( i ).
The fitting quality of the experimental data is assessed by computing the parameters such as the 'goodness of fit' χ2 and the R factors (Rp = profile factor, RB = Bragg factor, and RF = crystallographic factor) [20].
