(A ) Representative configurations visited by EmrE, T28R, and nR111 mutants within 1 s of simulation time following the end of ribosomal translation; this set of configurations for each mutant is called the EOT ensemble.
Having access to the combined information on energetics, and on the grouping of structures with similar geometry makes it easier to rationalize the energy ordering of the structures, without having to separately juxtapose all the low-lying conformers but focusing on a few representative configurations.
The method conducts systematic trials based on an orthogonal array which represents a subset of representative configurations.
In particular, Vibration Modes, Modal Derivatives, Ritz Vectors, Static Modes, Trial Solutions and Corrections Vectors are critically examined when applied to a representative JW configuration.
It is found that the blunt tips do not qualitatively impact the value of J ph, i.e., under a representative blunt configuration, J ph under TE (TM) incidence is 21.18 19.100) mA/cm2, which is just slightly lower than that of the poignant case, i.e., 21.48 (18.96) mA/cm2, showing an average decrement less than 0.40%%.
A representative flux configuration with this network is depicted on the left-hand-side of Figure 6.
In their approach, they start from a representative circuit configuration and then proceed to identify the optimal parameter set by estimating the sensitivity of the parameter variation on the circuit response.
In our data set, the two diagonal swing conformations, which are typically observed in the trot gait, are the most representative configuration, present in more than 50%% of the frames (Fig. 4e).
The objective of a Monte Carlo (MC) simulation is to generate an ensemble of representative configurations under specific thermodynamics conditions for a complex macromolecular system [ 27].
Rather, they provide an ensemble of representative configurations, and, consequently, conformations from which probabilities and relevant thermodynamic observables, such as the free energy, may be calculated.
