Sentence examples for molecule was docked from inspiring English sources

The highest active molecule was docked into this model.

Hence, each molecule was docked in 94 s on average, leading to a average work unit time of 470 s.

To investigate the possible mechanism of the improved OPH activity caused by I211A mutation, the MP molecule was docked into AbOPHI211A and AbOPH, respectively, to simulate the protein ligand interaction.

ATP molecule was docked to DDX3X structure and the structure was energy minimized.

The molecule was docked into the 5′-cATGAt-3′ sequence, found in footprinting and used in the other experiments, and energy minimized.

Prepared ligand molecule was docked into the active site of both monocot and dicot AGPase SS to elucidate its binding affinity towards the inhibitor molecule which in turn provides an insight into the allosteric regulation of the protein.

In docking-based IVS, a given small molecule is docked to the binding site of each protein in a target database through a docking engine.

Then, a potentially interesting small molecule is docked to each element of the target database by a docking program.

However one of the main drawbacks of classical template-free docking is that every molecule is docked ab initio, and no information from existing similar protein ligand complexes is taken into consideration.

Each of the top 10000 (pharmacophore) molecules was docked 30 times.

A database with about 5300 molecules was docked into this cavity.