Exact(5)
These filtered and clustered data sets were already applied in a ligand-based VS study [28] and are publicly available [36].
In this work, we report a virtual screening (VS) study targeting Mtb dTDP-deoxy-l-lyxo-4-hexulose reductase (RmlD), the last enzyme in the l-rhamnosyl synthesis pathway.
There is a feature, every week, entitled "Headline vs Study".
VS: Study design, patient recruitment and follow up, study oversight.
VS study selection, appraisal and analysis, review design, manuscript writing, EM study appraisal, review design, content discussion and manuscript review, JEH and AG content discussion and manuscript review.
Similar(55)
The dictionary of useful decoys (DUD) [16] dataset was used to perform virtual screening (VS) studies.
UCSF Dock is one of the most frequently used molecular docking applications in VS studies [2].
In VS studies, the use of only one program can't be recommended except if this program is known to perform well for active sites similar to the one that is targeted.
Efficient visual examination and comparison of predicted ligands is an important part of VS studies, contributing crucially to the choice of compounds that will be subsequently biochemically or biologically evaluated.
The large amount of available protein X-ray crystal structures, together with the development of more effective homology modeling techniques, has led recently to a steep increase in docking-based VS studies.
Thus, effects can be ascribed to the compound that has insecticidal activity (vs. studies conducted with formulated products).
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