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Accessing an extra interaction with the protein via Phe138 gave a significant increase in binding potency compared to similar analogues that do not make this interaction.
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Although they have similar functional EC50 values (36 and 26 nM), nothing in the functional or binding data can explain their lower potency compared to that of 1. Further, compounds 5a, 5b, and 5g have virtually identical ED50 values in the mouse HTR, yet their functional EC50s at the rat 5-HT2A receptor are 21, 34, and 80 nM, respectively.
We conclude that the additional terms which treat charge transfer, polarisation and dispersion effects during ligand binding in this QM method significantly improves the estimation of ligand potency compared to MM-based procedures.
BPA has a lower binding affinity, interacting with the α and β estrogen receptors (ER) at 104 times lower potency compared to estradiol [ 16].
All the bivalent ligands exhibited increased potency compared to that of their monomeric counterparts for the integrin αvβ3 with low nanomolar range binding affinity.
Degraders of BRD9 exhibit markedly enhanced potency compared to parental ligands (10- to 100-fold).
Cis-R demonstrated somewhat less potency compared to trans-R.
Additionally, these data suggest that OPFRs may affect neurodevelopment with similar or greater potency compared to known and suspected neurotoxicants.
Clozapine antagonises recombinant mouse 5-HT3A receptors with higher potency compared to recombinant human 5-HT3A receptors.
Activity was isoform-specific for six organisms with Aβ42 showing greater potency compared to Aβ40.
A heparin-like substance that was isolated from this species [32] showed 10% anticoagulant potency compared to mammalian counterpart and 5% potency in thrombin inhibition activity [33].
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