Sentence examples for binding affinities for a from inspiring English sources

We used the function to blindly and successfully predict binding affinities for a diverse test set of 31 wild-type protein protein and protein peptide complexes (R2 = 0.79, rmsd = 1.2 kcal mol− 1).

Available experimental binding affinities for a small number of the tested compounds show very good agreement with the calculated energies and provide the rational approach for design of Gal-3 ligands with even higher affinity.

Generally, the task of ligand-based VS is to output a ranking list of a set of molecules in terms of their binding affinities for a given drug target, so that the top-k molecules can be further examined through in-vivo or in-vitro test.

Notable features of the present structural model include: (1) parameterization of the Mg2+ hexacoordination system using ab initio quantum chemical calculations to accurately represent the ATP-kinase interaction; and (2) comparison between the docking scores and measured binding affinities for a series of oxindole-based Pfmrk inhibitors of known activity.

Binding affinities for a given TF on the universal PBM arrays are represented as Z-scores, which are an aggregate value for binding to all 32 occurrences of each 8-mer on the PBM.

Comparison of the binding affinities for lipid A and daunorubicin when the two compounds were presented to the protein in an ordered fashion indicated that the two binding sites engage in complex interactions with each other.

Neither the 8-phenoxymethylcaffeine nor the 8-[ phenylsulfanyl)methyl]caffeine derivatives exhibited high binding affinities for MAO-A.

IR binding affinities for IR-A in membranes of human IM-9 lymphocytes of all the prepared analogues are listed in Table 1, with the corresponding binding curves provided in Figure S2 of the Supporting Information.

We applied this method to examine the binding affinity for a series of published cyclin-dependent kinase 2 (CDK2) inhibitors.

The internal potential (strain) energy of a drug molecule is a key component of the binding affinity for a drug to a protein.

In the simplest case, this includes an on/off switching of the binding affinity for a certain guest, but more sophisticated consequences such as fine-tuning of the binding kinetics or regulation of guest specificity can be achieved.