Sentence examples for a docking model for from inspiring English sources

We used the LeapFrog program to develop a docking model for interaction of ligands with the active site of THNR.

Alanine scanning mutagenesis of hVβ2.1 wild-type and mutated residues allowed us to generate a map of the binding site for TSST-1 and to construct a docking model for the hVβ2.1 TSST-1 complex.

Our experiments designed to test the nature of the interaction between adenain and cystatins suggest a docking model for the adenain human cystatin interaction, similar to that proposed for papain and CEW.

A 6.5 nm separation between the catalytic site and a putative exosite suggests a docking model for factor X. The structure provides a typical example of the molecular evolution of multi-subunit proteins and insights into the molecular basis of target recognition and proteolysis by ADAM/adamalysin/reprolysin proteinases.

However, it is expected that there are differences for the details of the two dimer interfaces, since our poplar apo GrxS14 dimer structure is a docking model and the dimer interface for Arabidopsis GrxS14 may be distorted due to crystal packing.

In addition, the docking model for 2A and CYP51 was investigated.

The EM reconstruction and docking model for PI3KC3-C1 provides the first overall view of VPS15, VPS34, BECN1, and ATG14 in their functional context.

Although a variety of molecular docking models for P-gp inhibitors have been successfully used for prediction of receptor ligand interactions, 14– 16 there is no general scoring function regarding the filtration and selection of the best hits.

And then these compounds were tested by the drug-topoisomerase II docking models for virtual screening.

For docking, models for human and yeast TOR with stubs replacing missing loops were first analyzed by Molprobity to add all hydrogens and to flip Asn, Gln, and His bonds (44).

The output from AutoDock was used for docking model studies with PyMOL software (Smith et al. 2004).