Sentence examples for binding configuration of the from inspiring English sources
They demonstrated that, when the protein structure and the general location of ligand binding pocket are defined (by cryo-EM or other structural biology approaches), modern computational tools are able to accurately identify correct binding configuration of the ligand.
Cross-linked GLEC film was prepared using the electron irradiation in the pressure of 0.04 Pa and positive bias voltage of 50 V, and the nanostructure and binding configuration of the film were analyzed by high resolution transmission electron microscope (HRTEM) and X-ray photoelectron spectroscopy (XPS).
These hyperbolic terms can be derived from the chemical reaction scheme (see Additional file 1: Chemical reaction scheme) and represent the equilibrium partition over the four possible binding configurations of the DNA.
In order to calculate the partition function of the complex ZiA = Tr(exp[−H li)]) all the possible binding configurations of this complex should be specified.
Moreover, the simulation result demonstrates that the electrostatic interaction energies combined with the distribution frequencies from BD simulations might be used as criteria in ranking the binding configuration of a scorpion toxin to the Kv1.3 channel.
To understand the binding configuration of capsaicin and interactions between capsaicin and TRPV1, a hybrid approach that iteratively combines computational docking and functional studies was developed in 2015 (Yang et al., 2015).
In this study, we used computer simulation and computer-based molecular docking methods to further explore the interaction modes of YL529 with the kinase domain of VEGFR-3, and Fig. 1 depicts a possible binding configuration of YL529 with VEGFR-3.
The binding configurations of BPA-C and BPA-D to ERRγ were also studied by X-ray diffraction.
We can see that the phenol ring closely resembles binding configurations of BPA-A and BPA-C within the LBD; see Figure 5a.
If we consider these two were only reported to bind to proteins with a TINAGL1 sequence similarity of 45%, the Cyscore attributed to CHEMBL1242746 or CHEMBL1242747 was good and demonstrated the ability of chooseLD to infer proper binding configurations of potential ligands.
ChooseLD requires well-predicted or observed tertiary structures of target genes and known binding configurations of multiple compounds to which drug candidate compounds can be aligned.
