In order to estimate whether the results obtained by the molecular docking analysis were robust or fortu- itous and reproduce the actual behavior of real molecules in motion, MD simulation and binding free energy methods are carried out to reproduce the actual behavior of the binding of compound...
Computationally based predictions of the 3D structures of GPCRs (GEnSeMBLE)71,72and of the binding sites for ligands (DarwinDock)73have played a major role in understanding the structures and functions of GPCRs. These methods have been validated for predictions of bitter taste receptors TAS2R74,...
After completion of the training period, each welder is tested, and the quality of their welds are examined by non- destructive testing methods. Only the ones without any weld defects are recruited as welders into the shipyard. A similar procedure of induction is followed for solderers. However...
The aerial parts of plant material obtained by cutting propagation were harvested on 2022 and then dried at room temperature. Dry samples (100 g) of thyme and oregano plant material of three biological replicates were ground with a vertical multifunctional grinder. The essential oil was extracted v...
Sections Figures References Abstract Highlights Introduction Materials and methods Results Discussion Availability of data and materials References Acknowledgements Funding Author information Ethics declarations Additional information Supplementary Information Rights and permissions About this article AdvertisementFluids...
Bayes factors are often touted as the best method, but cross-validation and information criteria are also methods that have been put forth. While computational hurdles vary across these paradigms, their statistical interpretations diverge, stemming from different aims: hypothesis testing or the search ...
Methods Four different breast cancer cell lines were used: MDA MB 231, MCF-7, SKBR-3 and MDA MB 468. Cell viability and ultrastructure, protein synthesis, autophagy induction and phosphorylation status of Akt and S6K1 kinases upon SFN treatment were determined. Results We observed that all four...
2. Materials and methods 2.1. Experimental design The experiment was conducted during the summer period between January and April of 2008 at the farrowing houses of the pig breeding sector of the Department of Animal Science at Federal University of Viçosa, Viçosa, Minas Gerais, Brazil. The...
Methods Chemical Standards of Lipids The lipid chemical standards were purchased from Avanti Polar lipids: PC(15:0/18:1-d7) (791637), PE(15:0/18:1-d7) (791638), PG(15:0/18:1-d7) (791640), PS(15:0/18:1-d7) (791639), PI(15:0/18:1-d7) (791641), PA(15:0/18:1-d7...
In order to improve prediction and interpretability, these methods use variable selection and regularisation. As a result, StPLS, Lasso, and Elnet are used in this study to predict the survival fraction of MTX derivatives against human malignant glioma U87 (MG-U87) cell lines using FTIR ...