Sentence examples for binding affinity was estimated from inspiring English sources

In this study, the binding affinity was estimated by using an implicit-solvent model in which the electrostatic contributions were obtained by solving the Poisson equation, and the hydrophobic effects were accounted for by using surface-area-dependent terms.

The distance cutoff in the scoring function defining which pairwise interactions are taken into account when estimating the binding affinity was estimated based on a benchmark set of MHC class I binding data described in the methods section.

Binding affinity was estimated by fitting 3-parameter sigmoidal function to all concentration-RU data pairs, by nonlinear least-squares analysis, yielding S0.5-values reflecting the protein concentration necessary for a half-maximal response [21].

This protocol uses a high-throughput docking program to initially orient and score the ZINC fragment-like compounds in the binding site, and subjects the best single docking pose for each docked compound to a rescoring stage in which the ligand is energy minimized and the binding affinity is estimated using an all-atom molecular mechanics force field combined with an implicit solvent model.

The binding affinities were estimated as a Docking score (Glide score + Epik state penalties).

Kd values and relative binding affinities were estimated by using a 5-fold dilution series of protein, from the in vitro transcription-translation system.

The binding affinities were estimated by monitoring changes in the native tryptophan fluorescence of the V domain upon titration with MG-Hs (Table 1 and Figure S2 of the Supporting Information).

Typically, ligand-binding affinity is estimated by scoring functions.

Binding affinities were estimated with the apparent Kd derived from the LigB concentration at half-maximal binding.

The binding capacity and affinity was estimated using the Scatchard analysis and curves compared by two-way ANOVA.

To explore the contribution of the potential rim contacts to mediate the interaction between RydC and cfa, an Hfq mutant in the lateral rim (where residues R19, P21, Q33, Q35, T49, R66 have been mutated to A) was expressed and purified, and its binding rates and affinities were estimated from interferometry (ForteBio Octet Red96).