Sentence examples for by evaluating the binding from inspiring English sources

Docking analysis efficiently screened chemical compounds by evaluating the binding affinity.

The biorecognition properties of the resulting dually functionalized TCNs were subsequently studied by evaluating the binding of the fluorescent TCNs with cognate lectins and bacteria.

For a given SNP V, we estimated its effect on the binding of a particular transcription factor tf, denoted by the matching score S tf (V), by evaluating the binding affinity differences between reference and alternative alleles; the binding affinity was calculated using the position weight matrices (PWMs) documented in the TRANSFAC database using previously published methods (Wang et al., 2008).

Furthermore, the importance of amino acids randomly allocated at each position of the peptide was explored by evaluating the experimentally-determined binding affinities of a set of sequence-distinct peptides defined by discrimination of binding and diversity analysis.

Alanine-scanning mutagenesis [ 12] is a popular method to identify hot spots by evaluating the change in binding free energy when substituting interface residues with alanine.

The relation between a single transcription factor (TF) and a single disease can be probed by evaluating the frequency of binding sites for the TF in regulatory regions of genes assumed to have a role in the disease.

Binding affinities were deduced from these binding experiments by evaluating the dose dependency of equilibrium binding (IL-13 variants) or directly from the binding kinetics (IL-13 wild-type).

Apparent dissociation constants KD were either calculated as KD = koff/ kon or by evaluating the dose dependency of equilibrium binding.

The computational method employs an effective scoring function which translates both sequence and structural information of HA into quantitative HA-receptor binding strength by evaluating the effects of electrostatic and shape complementarity.

It appears that a better solution to this problem can often be provided by automated docking of individual compounds, at least when they differ significantly from each other, and then to try to evaluate the binding energetic by a method that does not require the unphysical transformations involved in FEP/TI and related methods.

We validated this inhibitor design by comparing its structure-activity relationship (SAR) with that of corresponding indole derivatives, by analyzing the binding mode with X-ray crystallography and by evaluating its thermodynamic binding parameters.