Sentence examples for binding modes obtained from from inspiring English sources

For a set of different ligands, these solutions are ranked according to the internal similarity consistence among the various ligands in the binding modes obtained from docking.

Unlike the top-scored binding modes obtained from molecular docking, MD simulations enabled us to (1) analyze all the binding modes by averaging all ligand protein interactions identified in each frame of the simulation, and (2) determine the most favorable interactions.

The binding mode obtained from the docking simulation was further used for structure optimization of vibralactone.

Slow modes derived from both schemes were found to agree well with slow modes obtained from the standard NMA that uses a much more detailed potential.

CHK2 crystal structures (PDB ID: 2CN5 and 2W0J) representing different ligand binding modes were obtained from the Protein databank.

The trio-interaction mode obtained from this model is essentially a frictionally coupled dynamic moisture mode.

In Figure 14 we project the data in sample mode on the first component vector of sample mode obtained from PARAFAC decomposition.

In total 50 binding modes were obtained for deltamethrin, PBAlc, PBAld and PBA.

Non-specific binding was obtained from two competitive homologous binding assays with non-radioactive Ga68-PSMA-11.

Half-maximal binding concentrations were obtained from a 4-parameter binding equation fit to the data.

Finally, the favorable binding mode thus obtained was further optimized by a short time molecular dynamics simulation (∼5 ns).