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Protein-peptide binding was estimated using an ELISA-based binding assay exactly as described previously [55].
Nonspecific binding was estimated using 5 μM MPEP.
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The binding free energy Δ Gbinding was estimated using following equation: Δ G binding = E R L - E R + E L + Δ G soly + Δ G SA where ER L is the energy of the complex, ER + EL is sum of energies of the receptor and ligand in unbound state, ΔGsolv is the difference in the GBSA solvation energy of the complex and sum total of solvation energies of unbound receptor and ligand.
By adopting a single-array error model, a confidence estimate (p-value) for each binding ratio was estimated using standard deviations of the two background-intensities [ 69].
The non-displaceable binding potential (BPND) was estimated using the simplified reference tissue model (SRTM) [17] using the cerebellum as reference region (mice and rats) or cerebellar gray matter (guinea pigs).
Actual in vivo binding site occupancy was estimated using the average ChIP-Seq tag count covering each subset of NFI predicted sites.
The binding capacity and affinity was estimated using the Scatchard analysis and curves compared by two-way ANOVA.
(1) PC = Concentration Pre - incubation − Concentration Post - incubation Concentration Post - incubation The plasma protein binding of DRDE-07 was estimated using the ultra-filtration method.
The binding free energy change upon gatekeeper mutation was estimated using multiple thermodynamic integration (TI) simulations in both directions, i.e. alchemically mutating valine to methionine and vice versa (Table 1).
In short, the protein concentration for each sample was estimated using Bradford dye-binding procedure with BSA as a standard [ 30].
The correlation between MAO-B binding as k 3 or λk 3 and age was estimated using the Pearson correlation coefficient.
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