Sentence examples for transition pathways of from inspiring English sources
Here, the optimal designs of transition pathways of biofuel supply chain are available which successfully assesses the benefits and barriers to the decision maker.
Using explicit long-timescale (up to microseconds) molecular dynamics and bias-exchange metadynamics simulations, we determined at the atomistic level the intermediate conformational states and mapped the transition pathways of AdK in the presence and absence of ligands.
Additionally, coarse-grained simulations [ 22– 26], normal mode analysis [ 27– 29], and plastic/elastic network approaches [ 30– 33] are also employed to generate transition pathways of ADK.
A total of 10 independent ADMD simulations were performed, from which we extracted common features for the transition pathway of BBA5.
The design of transition pathways for sustainable electricity systems with high penetrations of renewable energy sources requires the use of energy modeling tools that are able to account for two key aspects: the evolution of fossil fuels and technology prices, and the natural dynamics of renewable resources.
Because of the smaller number of transition pathways available at 400 K, only 40 conformations were selected for Pcommit calculations, while 115 and 90 conformations were selected at 435 K and 450 K, respectively.
Since the rate of catalysis is determined by the climb over a sequence of energy barriers, we focus here on the critical question of transition pathways.
Geometries and energies of transition pathways have been evaluated for kink inversion and formation, and for crankshaft type motions which are feasible in anisotropic glassy matrices.
The model's behaviour is illustrated by means of analyses of TIS dynamics in the context of different transition pathways, under different resourcing conditions.
Rather than concentrating on the integration of the equations of motion, we examine various transition pathways by minimizing the classical action of (1) above with as much low potential energy as possible.
Projections for each of the transition pathways onto the MD subspace defined by the first two principal components of the Full-PCA are shown in Fig. 4, accompanied by the change in bending or twisting angle of the primary motif in each for each conformer along the transition pathway.
