Since the unsymmetrical solutions will not affect the stability of the axisymmetrical solutions, it is concluded that for quasi-static analysis, there is no need to include unsymmetrical assumed modes in the calculation.
Computation of elementary flux modes allows the calculation of a solution space of all possible independent metabolic pathways in a steady-state [ 23].
In the computations, it is easy to show that a single vibrational mode results in two peaks in the IET spectra, simply by including only a single vibrational mode in the calculation.
The peptide statistics mode allows the calculation of inclusion or exclusion lists based on the results of a theoretical or experimental proteolytic digestion.
Nevertheless, a mean difference of 0.4 week for the beginning bounds and 0.2 week for the ending bounds were observed, showing that for a same graph and a same expert, the answers can slightly differ, and that it is safe to include a ± one week window around the mode in the calculation of the level of consensus.
While the study is clearly interesting, a number of serious criticisms have been raised, in particular concerning novelty (in light of earlier simulation studies of ice-growth inhibition by the same protein), the choice of the water model (with a TIP4P having a very low freezing point), the assumed ice growth mode, and the calculation of binding free energies.
Numerical results show the convergence of the time-step size and truncation number of wave modes in the calculations of impact force by the present method.
The PLP algorithm was coded in MATLAB (Mathworks , Inc as a modified version of the NIPALS algorithm {Geladi, 1986 #15}, wherein the loadings of the outputs are fixed a priori according to the elementary modes structure, E. The calculation of the elementary modes is not automatically integrated in PLP.
It is shown that, the higher number of the modes retained in the calculation, the better the estimation of velocity profile fits the observational one.
Other modes allow for the calculation of phase equilibria and/or the molar volumes of H2O and binary mixtures, with pressure and temperature as the input variables (just pressure in the case of H2O).
