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Density functional theory (DFT) method at B3LYP/LANL2DZ level of theory was employed for computational studies.
This class can be employed for computational solution of linear or non-linear functional equations, including ordinary differential equations or integral equations.
Four body contacts defined using the concept of Delaunay tessellation (DT) [ 17] of protein structures have been employed for computational mutagenesis of protein stability [ 3, 18, 19] and enzyme activity [ 5].
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Variable time-steps were employed for higher computational efficiency and accuracy in the integration process.
In this study, a surrogate based approach using General High Dimensional Model Representations (GHDMR) is employed for achieving computational efficiency in quantifying uncertainty.
Some detailed atomistic simulations have been employed for the computational design of imprinted polymers [30 34].
Moreover, my computer experiments were based on quantitative expression data that have been employed for guiding pioneering computational studies on developmental pattern formation (see Figure S1).
GPU, CPU and MIC technologies are frequently employed for simulations on computational dynamics and we present results comparing different schemes for the numerical integration of ordinary differential systems (ODEs) in these architectures.
A similar observation was also employed recently for computational prediction of novel snoRNAs in the Arabidopsis genome [ 24].
The finite difference method has been employed for discretization of the computational domain, as shown in Fig. 1b.
For instance the computational model employed for the phase variation case study [ 35] is an illustrative example of constructing a spatial stochastic computational model from an initially non-spatial deterministic model [ 36].
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