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Binding assays performed in brain homogenates should reflect the actual binding situation more accurately and are supposed to be more reliable than binding assays performed on tau fibrils, but they also reflect pathological variability between subjects, possibly leading to more heterogeneity in the results.
The binding situation of the resulting titanium hydroperoxo compounds were explained and transition states and activation energy for the epoxidation of ethylene were computed.
It is assumed, that electronic characteristics of the molecular surface, like the electrostatic potential, represent the behavior of a molecule, especially the binding situation, in the active site.
Firstly, we calculated the presumed binding efficiency between HR-HPV group and LR-HPV group of each gene (or URR) region roughly: If a miRNA has (at least) one binding site on a gene part in one HPV subtype, we noted the binding situation as 1 (existing), otherwise we noted as 0 (none).
Since short peptides do not represent the targeting and binding situation in the cell, we analyzed H3K9me3 binding of ADNP in a chromatin context.
This indicates that the defined simulation could present the real protein-ligand binding situation.
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Different scoring and docking functions consequently favor different binding situations.
Our compilation comprises proteases, kinases, transferases, oxido-reductases, nuclear receptors, and hydrolases, and describes various protein-ligand binding situations.
Neglecting or limiting the flexibility of target molecules is obviously incorrect at binding situations with induced fit [15].
Such complicated binding situations are difficult to predict, because this method does not model the interactions between ligands.
This result shows that the amino acids Glu353, Leu391, Arg394, and Phe404 can interact with all ligands through hydrophobic interactions or hydrogen bonds, indicating that these amino acids might be important in ligand-protein binding situations.
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