نتایج جستجو برای: gibbs free energy of binding
تعداد نتایج: 21309086 فیلتر نتایج به سال:
Hydrogen–deuterium exchange mass spectrometry (HDX-MS) is a powerful technique to monitor protein intrinsic dynamics. The provides high-resolution information on how dynamics are altered in response biological signals, such as ligand binding, oligomerization, or allosteric networks. However, identification, interpretation, and visualization of events from HDX-MS data sets challenging these cons...
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
Thermodynamic analysis of the cracking of hexane has been conducted by the Gibbs free energy minimization method and second law analysis of overall reactions. By-products have been divided into three groups of methane, alkynes and aromatics and their possible production paths have been discussed. Effect of operating conditions such as temperature and steam-to-hexane ratio on the cracking perfor...
Background and aim: Podophyllotoxin is used as one of the main treatments for genital warts. It is a precursor of etoposide and teniposide, which is used in the treatment of various cancers. Despite a large number of cancer studies, the exact mechanism of podophyllotoxin remains unknown. Chemotherapy drugs reduce cancer cells by inducing apoptosis. The regulation of the apoptotic pathway has be...
In this study, the reaction of 3-Picrylamino-1, 2, 4-Triazole (PATO) with B12N12 was investigated by density functional theory in the B3LYP/6-31G(d) level of theory. There were two possible isomers for reaction of PATO with B12N12 via carbon and nitrogen atoms of triazole ring to the Born atom of B12N12 (I and II-isomers). Thermo...
The conformational stability and flexibility of insulin containing a cross-link between the alpha-amino group of the A-chain to the epsilon-amino group of Lys29 of the B-chain was examined. The cross-link varied in length from 2 to 12 carbon atoms. The conformational stability was determined by guanidine hydrochloride-induced equilibrium denaturation and flexibility was assessed by H2O/D2O amid...
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