Sentence examples for been calculated by docking from inspiring English sources

Binding energy of the designed ligands has been calculated by docking the molecules in tetrameric structure of the protein.

Additionally, ligand-binding modes and affinities of these mutants are calculated by docking software AutoDock (Morris et al., 1998).

Docking enrichment was calculated by dividing the docking hit rate by the screening hit rate; random selection gives an enrichment of 1.

During the docking procedure an internal energy term is calculated by GOLD for each docked ligand pose, which is a component of the scoring function used to rank the pose.

Using the newly generated matrix, the new docking score is calculated by eq. 4. Then an in silico screening method based on the new matrix M gives the q value by eq. 5.

The Ligand-receptor interaction energies were calculated by the DREIDING force field during the docking progress.

The generated conformation of ligands was docked into the defined binding site of BACE1; the ligand poses were calculated by various scoring functions including -PLP1, -PLP2, and -PMF.

The energies of docked conformations from protein-protein docking were evaluated by applying the Fast Fourier Transform FFTT) correlation approach.Docking scores were calculated by considering shape complementarity, desolvation, and electrostatics potential.

All other data was calculated by Executive Compensation Advisory Services.

Admittedly, the algorithm was calculated by me.

Titer was calculated by using TCID50.