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These complexes have not been explored thoroughly to decipher the essential non-covalent interactions made by crystal ligands.
One such method is the structural interaction fingerprint [42], or molecular interaction fingerprint [43], which encodes into a binary bit string the set of binding interactions made by a docked ligand pose.
Finally, a comparison of the interactions made by selective and non-selective inhibitors highlights residues on the edge of the ATP binding-site that can be used to obtain inhibitor selectivity.
The nature of linker and its point of attachment on the ligand can be varied to aid crystallization, and such variations can also provide valuable structural information about the interactions made by the linker with the protein.
In virtual screening, time spent thinking carefully about the receptor binding site and interactions made by ligands binding in it would pay off in a greater understanding of the structural characteristics of the system – knowledge that could be useful for subsequent refinement into leads of the hits out of the screening database.
Here, we use the site-specifically tethered chemical nucleases and functional characterization of directed T7 RNAP mutants to both reveal the architecture of the duplex DNA that flanks the transcription bubble in the T7 RNAP initiation and elongation complexes, and to define the function of the interactions made by these duplex elements.
Similar(17)
It's not optimal, but it's also not bad; there's also a stickiness factor through which each interaction made by a user increases the likelihood they'll come back and use it again.
We checked for the first interaction made by the affiliation recipient following bystander affiliation.
This unbiased mapping and automated inference of directional epistatic interactions, made possible by the multivariate phenotyping approach, revealed a detailed circuit diagram of regulatory, temporal and causal relationships of complexes that function during the M-phase of the cell cycle.
The network of polar and non-polar interactions made to biotin by SA changes biotin's structure from the conformation reported to apply in solution [ 35].
A homology model of PfHDAC1 enzyme gives new insights to interactions likely made by some of these inhibitors.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com