Sentence examples for molecule docking in from inspiring English sources
Figure 4 Molecule docking in Second Life.
We found, after molecule docking in two ways, Tan IIA docking with the binding site of endogenous ligand is more stable.
(B – D ) Different views of a retinol molecule docked in the putative ligand-binding pocket.
A grid-based approach has been successfully applied in small molecule docking, for instance in the AutoDock program (Goodsell et al., 1996).
A uniform sampling of all energetically accessible small molecule conformations is essential for the success of protein small molecule docking simulations [1] for example in structure-based computer-aided drug discovery/design (CADD) [1 3].
The "Small Molecule Docking" tutorial demonstrates this protocol.
Small-molecule docking is an important tool in studying receptor-ligand interactions and in identifying potential drug candidates.
Hence, each molecule was docked in 94 s on average, leading to a average work unit time of 470 s.
Each molecule successfully docks in 10 poses.
The molecules were docked in the active site of PDE6 and analyzed the probable reasons for selectivity of these molecules towards PDE5 over PDE6.
The molecules were docked in the ligand binding domains of the ERα-antagonist and ERβ-agonist crystal structures to evaluate the potential of the molecules to interact with the receptors.
