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The AIMD results indicate that the energetic barrier for nHEX is below 100 kJ/mol for 59% of the time.
These conditions seemed to be especially suitable for synthetizing the phases with high energetic barrier of nucleation process.
We show that path dependence in this energetic barrier can explain the asymmetry seen in the calculated τcrit values.
DFT simulations support our experimental findings indicating a lower energetic barrier for dimerization as compared with the intramolecular reaction of the monomer.
This structural deformation imposed an energetic barrier for the self-spreading, leading to reduction of the spreading velocity.
The diffusion of positively charged oxygen vacancies by overcoming an energetic barrier of about 1.1 eV yields to a second relaxation which takes place at relatively high temperature.
In contrast, we found little change in either the frequency or the lifetime of off-pathway, paused states, indicating that the energetic barrier to transcriptional pausing is predominantly entropic.
On the other hand, the calcium sulfate crystals appear to reduce the energetic barrier of CaCO3 nucleation and lead to its precipitation by activating heterogeneous germination.
This region is of sufficient size to harbor polar headgroups on their way across the membrane and thus may lower the energetic barrier for the diffusion of lipids between the two leaflets of the bilayer.
Energetic analysis shows that loss of solvation rather than specific water binding sites in the pore form the main energetic barrier for water permeation, consistent with our dynamics results.
This work illustrates that the energetic barrier to domain closure, which normally functions to maintain MBP in an open concentration in the absence of ligand, is not easily overcome by protein design.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com