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The difference can be rationally correlated with the binding affinity of hydrogen on precious metal surfaces.
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The cause of this bias is most likely a lack of probe saturation in low DNA quantity samples and inflated intensities due to a higher binding affinity of the triple hydrogen bonding of guanine to cytosine.
Molecular docking studies revealed that the binding affinities of the compounds correlate with their pEC50 and the best compound has binding affinity of −10.4 kcal/mol which formed hydrogen bond and hydrophobic interaction and with amino acid residues of TGR5 receptor.
5d has maximum binding affinity of −9.8 kcal/mole due to maximum number of hydrogen bonding interactions with the target.
The importance of hydrogen bonds in the binding affinity of a target-drug has been described extensively [33].
The Q155N and E159D mutations at the MHR greatly destabilize the binding affinity of the CA dimer by disrupting the hydrogen bonding network between the loop and the helix 1 and 2 motifs.
However, hydrogen bonding to TM5 may still enhance the binding affinity of the agonists.
The balance between charge and hydrogen bonding may thus explain the sharply increased binding affinity of ADP-ribose.
In conclusion, these docked atoms help increase the binding affinity of the target-receptor molecules and optimize the hydrophobic interactions by captivating the hydrogen bonding at the hydrophobic core of the complex.
Based on the favorable hDAT-Tat binding mode (Fig. 1), it could be expected that mutations of His547 would eliminate a hydrogen bond between D-H547 and T-R49, which impair the binding affinity of Tat with hDAT, thereby diminishing Tat-induced inhibition of DA uptake.
By microcalorimetric and mutational analysis, we determined that one specific hydrogen bond accounts for most of the differences in the binding affinity of individual zinc fingers.
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