The investigators' report didn't conclude that Hall had directed anyone to cheat, but it did recount a number of episodes in which she ignored or minimized evidence that scores had been falsely achieved.
First, we must be able to make a reconstruction of events on each vertex of the tree/network, such that the sum of the substitution costs on the edges is minimized (optimize the parsimony score on a network).
Based on the distribution, we set several cutoffs, compared false positives and false negatives at different cutoffs, and finally determined the cutoffs of the composite score that minimized false positives and false negatives.
The minimized complexes were re-scored with LigScore2 (Accelrys, Inc).
The minimized structure is then scored using the PARAM22 force field with the GBMV2 implicit solvent potential [13], [40] and a surface area-based non-polar term.
Especially, these two dictionaries share the same sparse coefficients, so that the reconstruction errors from the image feature vectors and quality score vectors are both minimized.
Suppose that f(C) is a scoring function to be minimized, where C is a state in a domain of states, D. A target probability distribution is determined from f(C) by the following way: P C ∝ exp - f C T, where T is a temperature parameter.
Minimized structure was validated with the programs PROCHECK score (91.8%) [40], VERIFY3D (78.04%) [41] and PROSA score (−6.68) [42].
Because the ligand-free states are expected to exhibit greater conformational heterogeneity, we omitted the clustering step and compared the minimized models with the lowest Rosetta energy scores for visualization.
Stepwise multivariable regression analyses resulted in an AIC-minimized model in which only the recollected pain score of the previous mammogram was a highly significant (p < .001) predictor for the reported pain scores (Model 1 in Table 1).
