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Molecular interaction studies of NCL proteins have shown that CLN5 appears to interact with other NCL proteins in vitro, including CLN1/PPT1, CLN2 (tripeptidyl-peptidase 1, TPP1), CLN3, CLN6 and CLN8 (Vesa et al., 2002; Lyly et al., 2009).
Gupta, S. C. et al. Multitargeting by curcumin as revealed by molecular interaction studies.
Also, SPR reflectivity measurements can be used to detect molecular adsorption, such as polymers, DNA or proteins, and molecular interaction studies [24].
Then, we have performed invasion assay and epithelial-mesenchymal transition marker study in human bronchial epithelial cells overexpressing AQP5 versus its mutants in addition to mock control, followed by further molecular interaction studies to elucidate AQP5 mediated pathway.
In this section we survey the increasing number of genome-scale molecular interaction studies to investigate the cellular functions of lincRNAs.
Molecular interaction studies have identified numerous candidate regions for functionality in the C-terminal region of the protein (Nelson and Näthke, 2013).
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We have used various computational methodologies including molecular dynamics, density functional theory, virtual screening, ADMET predictions and molecular interaction field studies to design and analyze four novel potential inhibitors of farnesyltransferase (FTase).
Cavities surrounding the core of the GABA binding pocket were predicted by molecular interaction field calculations and docking studies in a α1β2γ2 GABAA receptor homology model, and were confirmed by affinities of substituted analogues of 3. The tight steric requirements observed for the remarkably few GABAAR agonists reported to date is challenged by our findings.
Hydroxyapatite binding and biodistribution studies of these complexes have shown a good correlation with the theoretical molecular modeling interaction studies.
Further, to evaluate the mode of action at the molecular level, interaction studies of complexes 1 and 2 with nucleotides (5′-GMP and 5′-TMP) were carried out by UV vis titrations, 1H and 31P NMR which implicates the preferential selectivity of these complexes to N3 of thymine rather than N7 of guanine.
To further demonstrate P-EIM's capability on functional studies of molecular interactions, we studied Mg2+ dependency and competitive inhibition of imatinib binding with Abl1.
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