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QM investigations upon the 12 G-quadruplex core, extracted from the human potassium quadruplex crystal structure, indicate that replacement of the potassium cations with sodium yields an energetically more favourable structure.
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Unlike previous construction methods, our approach employs only a few n/2-variable affine subfunctions in the design, resulting in a more favourable algebraic structure.
The results show that, within the range of parameters investigated, the degree of mixing increases with increasing injection angle or velocity ratio, being particularly effective at higher values of the latter when the jet impinges on the opposite duct wall and provokes a more favourable flow structure.
Synthesis parameters have an important influence on metal support interaction, when stronger are metal support interactions more favourable is the catalyst structure for obtaining highly and finely dispersed nickel particles.
The van der Waals energy for crystal structure IIIa, is slightly stronger than that of structure IIIb – which may be viewed as a hint of a metastable packing preference for IIIa, overcome, however, by the contribution of a more stabilising Coulomb energy to the overall more favourable lattice energy of structure IIIb.
However, the van der Waals energy for crystal structure IIIa, is slightly stronger than that of structure IIIb – which may be viewed as a hint of a metastable packing preference for IIIa, overcome by the contribution of a more stabilising Coulomb energy to the overall more favourable lattice energy of structure IIIb.
This kind of surface structure is more favourable to decrease the strain induced by the SiOSi bond angle mismatch.
The lattice energy of the corrected structure is more favourable by 25 kJ mol−1.
These structures are often referred to as decoys, and have potential energy values comparable to, or even more favourable than the native, experimentally determined structure [12], [13].
Even increasing the percentage of tumour that can be safely removed without injuring or sacrificing vital structures may give more favourable clinical outcomes.
Hydrogen bonds and hydrophobic interactions between chains will be more favourable, thus promoting the formation of a more compact structure [54, 55].
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