Sentence examples for by the docking experiments from inspiring English sources

We have tested our hypothesis by the docking experiments.

The planar pentacyclic structure of Et-KuQ permits a favourable interaction of the compound inside the human Top1 catalytic site as shown by the docking experiments with the enzyme alone, explaining the inhibition of the relaxation and of the cleavage displayed by the compound.

The best complex from the docking experiments was then refined by 20 ns of molecular dynamics simulation in explicit water.

The docking experiments were performed on pancreatic lipase (PDB code: 1LPB) using the ChemPLP scoring function.

As can be observed in Figure 10, wFReDoW, as well as creating new RFFR models, also speeds up the docking experiments for all cases due to the reduction of docking experiments provided by the P-SaMI data pattern and the simultaneous docking execution performed by the virtual HPC environment.

Five million energy evaluations were used in the docking experiments.

All the docking experiments were performed with AutoDock4.0 and Glide.

AutoDock 4.2 docking software (Scripps Research Institute, www.scripps.edu) and AutoDockTools was used to perform the docking experiments.

The NADH coenzyme was removed from the InhA_wt and mutants' MD trajectories for the docking experiments.

S. P. M. and J. D. L. constructed the homology models and conducted the docking experiments.

The results of the docking experiments were visualized using PyMOL (DeLano Scientific; http://www.pymol.org/).org/