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The computer docking simulation was then performed to determine the most plausible binding sites between the model structure and target gases, trimethylamine, ammonia, acetic acid, and o-xylene.
With the aim to predict the most plausible binding mode of the identified inhibitors in this work and to rationalize their structure activity relationship (SAR), molecular docking was performed in the COX-2 active site.
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The refutation of the -1 triplet hypothesis discredits the most plausible model for direct binding of the ribosomal decoding center to the upstream sequence of tmRNA.
The docking programme was also able to generate plausible binding modes for most inhibitors of the test-set; the phosphate groups of the compounds were placed into the same area where the phosphate group of PEX binds, albeit no crystal structures were available to compare the predicted binding poses.
The plausible binding mode of 9, the most potent inhibitor in this series, shows interesting interactions with the binding site of COX-2.
Since the same intermolecular interaction modes, which govern fluid phase thermodynamics, are also responsible for binding of ligands to receptors, it is most plausible that a σ-based description of of ligand-ligand similarity or of ligand-receptor interactions should be very promising.
The most plausible hypothesis is a requirement for a cofactor for Stbm:Pk binding, but other possibilities include saturation of the machinery for a posttranslational modification or a conformational change in Fmi.
Two possibilities seem most plausible.
Self-interest is the most plausible motive.
The second and third explanations sound the most plausible.
Place your bets on which explanation seems most plausible.1.1
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com