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To provide additional insight into the atomic structure of defects in the FL-CPx and a-CPx compounds, we performed first-principles calculations within the framework of density functional theory.
To determine the anti-cancer activities of Korean P. ginseng active compounds, we performed pharmacophore-based virtual screening and molecular docking studies on EGFR (epidermal growth factor receptor) tyrosine kinase domain.
To understand the effect of hydrogen bonding interactions on the molecular structure of these compounds, we performed theoretical calculations.
To test which of these two datasets was more enriched in kinase-binding compounds, we performed VS of each against three different kinase targets selected from three different branches (families) of the human kinome tree.
To provide indications for the cellular programs activated by the compounds we performed GO assignments of the transcripts using DAVID analysis platform [24], [25].
Using the Maybridge Ro3 library of 1,100 compounds, we performed a fragment screen of BaDHPS using the WaterLOGSY (water-ligand observed via gradient spectroscopy) NMR protocol.
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Prior to testing for species effects on each element or compound, we performed a multivariate analysis of variance (MANOVA) testing for a species effect on the four anti-nutrients.
In order to validate that the observed cell death was specific to the action of amiodarone HCL, and possibly dissect the mechanism of action of this compound, we performed a gene expression analysis of NSCs and postmitotic neurons receiving amiodarone HCL.
For the isolation of each compound, we performed two preparative methods.
To investigate the mechanism of action of each anti-mitotic compound we performed high-resolution immunofluorescence (IF) microscopy to analyze the mitotic defects induced by these compounds.
In order to narrow down oestrogen-specific effects of the hybrid compound, we performed transcriptome analyses comparing pancreatic islets from male vs female NZO mice 2 days after diet switch.
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