Sentence examples for binding affinities were estimated from inspiring English sources

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).

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

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.

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.

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

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).

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

Our binding affinity results obtained from insertion and deletion are very similar indicating that our simulations are well converged and that accurate estimates of binding affinities were obtained.