Sentence examples for through docking of from inspiring English sources
Finally, molecular modeling studies were performed through docking of the synthesized compounds in the HCV NS3/4A protease active site to assess their binding modes with the enzyme and gain further insight into their structure activity relationships.
In this study, we predict protein-protein interaction complexes of previously identified protein hubs of NR-RTK network and their interactions through docking of their molecular structures.
This work has taken the approach of predicting protein-protein complex interactions of previously predicted hub proteins of NR-RTK network through docking of their molecular structures.
As the DN substitution is located in the Imp-α binding domaImp-α bindingwe performedomainn silicofanalysis through docking of the IBB domain of Imp-α2 on Imp-βD725N to determine weether the substitution would markedly change the interaction between both Imperformeds.
Importantly, binding of ATP in the leading head at this point in the cycle promotes a forward step by the trailing head through docking of the neck linker but does not prevent a backward step because neck linker docking is only weakly supported in the motor's ATP state (Rice et al., 2003).
Virtual screening of a representative complex was done through docking to the binding site of COX-2 to evaluate the anti-inflammatory activity of the series.
We demonstrate that NMA is a useful tool for reliable ensemble generation and that we are able to predict the ligand induced conformational change of the receptor through docking to such an ensemble.
The G-rich, quartet-forming oligodeoxynucleotide, T40214, was identified as a Stat3 inhibitor through docking studies of T40214 onto the known structure of Stat3 [45].
Through docking study of each molecule, it is validated that the electrostatic descriptors from the QSAR equation could explain the importance of S1′ pocket and the TACE inhibitory activity well.
The binding affinity of a series of cell-penetrating peptides (CPP) was modeled through docking and making use of the number of intermolecular hydrogen bonds, lipophilic contacts, and the number of sp3 molecular orbital hybridization carbons.
Further structure refinement was carried out through docking a series of focused virtual libraries.
