Sentence examples for evaluation of the binding from inspiring English sources
The first-principles evaluation of the binding energies of molecules to chemical accuracy (i.e. ± kcal/mol) is one of the most challenging problems in computational quantum chemistry.
Then the program SEED is used to dock functional groups into the active site by an exhaustive search and efficient evaluation of the binding energy with solvation.
Hence, evaluation of the binding free energy using the X-Score method according to the complex coordinate [22] was undertaken, and the value of the binding free energy of the complex shown on the webpage.
Here, we report an array-in-well binding assay, a miniaturized and multiplexed immunoassay that integrates the epitope mapping to the evaluation of the binding activity of phage displayed antibody fragments in a single well.
The development of techniques for evaluation of the binding of metals to individual proteins in biological samples may help us begin to address these questions [44].
A mammalian two-hybrid system was further employed to enable an intracellular evaluation of the binding between HBSP and mEH in Huh-7 hepatoma cells.
With respect to the above minimized complex, the evaluation of the predicted binding energy was made by using the package Dcomplex [41], which is the program for predicting the binding affinities of protein-protein and protein-peptide complexes based on the Distance-scaled Finite Ideal-gas Reference (DFIRE) energy function.
Table 1 Evaluation of the ACR binding site similarities in 1AGM, 3AIC, 1ULV and 3WEM proteins ACR GScore Smith ProBIS MultiBind SiteEngine Binding Site Geomfinder Waterman Pairwise Server Server Similarity [48] [25] [51] [52] 1Alig Alig.
Evaluation of the best binding peptides was performed via incubation of the peptide array-bounded cells with MTT reagent, which is reduced to purple formazan in living cells and further quantified using an Elispot and Kodak imager.
An accurate evaluation of the ligand binding pathways into this receptor at molecular level may play a key role in the design of new molecules with more desirable properties and reduced side effects.
The pose with the highest rerank score was retained in the workspace for detailed evaluation of the ligand binding at the active site cavity.
