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The performance was assessed directly by visual inspection of the PET data and indirectly by assessing the inter-subject variability in baseline BPND, convergence and residuals of the competitive binding modelling and the drug EC50 estimation.
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The electronic properties of BC2N nanoribbons with zigzag edges have been studied theoretically using the tight binding model and the first-principles calculations.
The corresponding K d values are obtained by fitting data to one-site specific binding model, and the error bars represent ± SD for triplicate experiments.
The binding curve was generated by fitting the data simultaneously to one-site and two-site competitive binding models, and the F test provided a preferred model for the mean IC50 values (confidence interval 95%).
The photophysical properties of PPM confirmed a 2 1 (PPM–Hg2+) binding model and the spectral response toward Hg2+ was proved to be reversible.
Computational modeling and simulation study pertaining to strain graphene and GNR for both the physical and electrical properties have been done using few approaches such as the tight binding model and the ab initio calculation [6, 13].
The magnetic transition from diamagnetic to paramagnetic gradually took place at around x ≥ 0.34, which is inconsistent with the predicted x dependence of the orbital χ based on the tight binding model and the Fukuyama formula.
In this paper, electronic properties of BC2N nanoribbons with zigzag edges are studied theoretically using a tight binding model and the first-principles calculations based on the density functional theories.
Hence in order to better understand the binding model and the relationship between the physicochemical properties and the inhibitory activities of different kind of various inhibitors, molecular docking and 3D-QSAR, viz.
The docking simulation was performed to analyze the probable binding models and the QSAR models were built for reasonable design of EGFR/HER-2 inhibitors at present and in future.
The data were analyzed with the Bia-Evaluation 4.1 software using the Langmuir 1 1 binding model, and the results are given as averages of the duplicates.
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