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The discarded higher eigensolutions are compensated by the residual flexibility.
By introducing residual flexibility matrices, the convergence of free mode modal synthesis can be improved.
Nonetheless, Fabs often remain challenging to crystallize because of the surface characteristics of complementary determining regions and the residual flexibility in the hinge region between the variable and constant domains.
Molecular dynamics simulations of the four mimotope toxin complexes indicate that a relevant contribution to the complex stability is given by the extent of the residual flexibility that the protein maintains upon peptide binding.
With this new approach, the contribution of the higher modes to the reduced eigenequation is retained as a residual flexibility matrix in an iterated form, which allows the eigenvalues and eigenvalue derivatives to be obtained from the previous results.
A previously developed algorithm is used to include the effects of residual flexibility in the dynamically measured flexibility matrix, so that certain entries in the measured flexibility matrix can be considered to be statically complete.
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Our results showed that collective motions, residual mobility, and flexibility of the enzyme increased upon mutation.
The objective function consisting of the modal flexibility residual is formulated and its gradient is derived.
Thus, also ligands with high residual mobility and pronounced flexibility can experience strong binding even though their actual shape complementarity with the binding pocket is far from perfect.
Due to its excellent flexibility, the residual stress measurement on different samples, as well as in-situ study for materials science, can be carried out through RSND.
A weather-driven modelling is used, which aggregates eight years of wind and solar power generation data as well as load data over Germany and Europe, and splits the backup system required to cover the residual load into three flexibility classes distinguished by their respective maximum rates of change of power output.
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