Sentence examples for binding between a ligand from inspiring English sources
Given the assumption that shape complementarity is a prerequisite for binding between a ligand and its receptor, it follows that active molecules with similar shapes could be active against the same targets.
A few studies have also been presented where molecular docking, i.e. a computational method for predicting binding between a ligand and a protein, has been used in redocking experiments [25], [26] and in affinity prediction protocols [27].
For example, most high-throughput screens assay competitive binding between a known ligand, labeled with a fluorescent or radioactive tag, and the small molecules to be screened.
Photoaffinity labeling utilizes UV photons to convert reversible binding between a photoreactive ligand and a receptor/protein into irreversible binding [ 1].
The scoring function should give a good approximation of the binding free energy between a ligand and a receptor and is usually a function of different energy terms based on a force field.
To study the cross-talk between the binding of a ligand at the ABS and the active site, we monitored the root-mean-square fluctuations (RMSF) of structural motifs that form the SBS. Figure 6 presents the RMSF of the kinase's main structural determinants in the simulated systems with the unbound system of GSK-3β(p) as a reference.
The jobs within the batch comprise a parameter sweep computation, in which the same function is applied to a range of prescribed input data sets - in this case employing the Autodock molecular docking tool [26] to find binding sites between a simple ligand molecule and a more complex protein.
We analyze this in terms of relatively weak binding between the ligand and ZnII, as confirmed by a potentiometric titration (see the Supporting Information).
After mapping the ligand (03D, red) in template to unbound chain, a new stable bound structure is formed with the tightly binding between the ligand and unbound chain.
Exploiting NMR methods, the binding between a small molecules (inhibitor or ligand) and a protein can be detected, the affinity measured, and the interaction topology defined.
