Sentence examples for molecular docking algorithms from inspiring English sources

One of the main downsides of many established molecular docking algorithms is their inability to consider binding site flexibility [60].

At this point, we used three different automatic molecular docking algorithms such as AutoDock, PatchDock and HexDock to identify interactions between the complexes.

However, there is currently no open-source framework available that combines novel scoring techniques with molecular docking algorithms to make this simply applicable for virtual screening.

However, there is no open-source framework that combines such sophisticated techniques with molecular docking algorithms to make them simply applicable for virtual screening.

Thus, 26 ligands are screened at the binding sites of 229 proteins from 5 main enzyme family classes using molecular docking algorithms.

Consequently, this promotes the low enrichment score through molecular docking algorithms.

This program is a geometry-based molecular docking algorithm aimed at finding docking transformations that yield good molecular complementary shape [28].

This uses molecular docking algorithm based on structure geometry.

PatchDock is a shape complementarity/geometry-based molecular docking algorithm.

Patchdock [ 24, 25] is a geometry-based molecular docking algorithm that can be used for protein-protein, protein-ligand, or protein-DNA docking.

To predict the potential interaction of Tan IIA and the VEGFR2 protein, the CDOCKER module in Discovery Studio (DS) 2.1 (Accelrys Software Inc., San Diego, USA) was applied to our molecular docking algorithm.