pKa Value: In chemistry, {eq}\text{p}{{\text{K}}_{\text{a}}} {/eq} is a constant value that characterizes the strength of an acidic chemical solution or compound. It depends on the acidic dissociation constant. If the {eq}\text{p}{{\text{K}}_{\text{a}}} {/eq} value of ...
The potential biological function of the low pK_a value of the histidines and the shift upon reduction are briefly discussed. Electronic supplementary material to this paper (comprising tables with the partial charges of the Rieske iron-sulfur cluster, optimized geometries of the 12 different states...
It is also useful to recognize that the value of ϵin used in a calculation depends on the level of physical detail represented explicitly in a model (Schutz and Warshel, 2001). In fully microscopic simulations, ϵin = 1 because all contributions to dielectric relaxation in the protein–wa...
The shape of the spectra depends on the pH value, because acidic and alkaline media, in which these compounds are dissolved, shift their dissociation equilibrium towards non-dissociated molecules or to completely dissociated species. The aim of this work was to characterize the dissociation behaviour...
A P-value less than 0.05 was regarded as statistically sig- nificant. Means and ±s.d. for each group were calculated and are shown. References 1. Durkin, M. E., Ullmannova, V., Guan, M. & Popescu, N. C. Deleted in liver cancer 3 (DLC-3), a novel Rho GTPase-activating ...
At the same time, the correlation between the calculated and experimental pKa values yielded the value of the linear regression slope very close to unity for both DMSO and MeCN. Computation of pKa of neutral acids in nonaqueous solutions with a reasonable precision obviously depends on carefully ...
The internal NMR pH indicators with pKa values spanning the range of 4.8 to 8.7 were chosen based on the simplicity of their spectra and noninteraction with the enzymes and their substrate binding. The pKa value of each of the indicators used was determined under our conditions (in 100 mm po...
Table 5. The effect of basis set on the theoretical reproduction of proton hydration energy ∆G(H+)aq and pKaN parameter values. The calculations were performed in the water medium at the LSDA/QZVP theory levels, using the SMD solvation model. The experimental value of ∆G(H+)aq = ...
A p-value of less than 0.00001 was observed in the test.In a real-world setting, the largest evaluation of homologous recombination deficiency testing has been performed on newly diagnosed FIGO stage III/IV high-grade epithelial ovarian, fallopian tube, or primary peritoneal cancer patients. For ...
(6-22) that inhibits CAMP dependent protein kinases with high potency is 17 residues of PKI - (6-22) - amide. The peptide/protein binding part of the PKA inhibitor fragment (6-22) at the active site interacts in a competitive manner with a low nanomolar Ki value. In order to inhibit...