Sentence examples similar to molecular docking programmes from inspiring English sources

We have used GRAMM [21], a molecular docking programme that uses shape complementarity to assess the interaction of protein molecules, to probe the likely binding sites in the TLR4 dimer for the adaptors Mal and TRAM (Figure 4A, B).

And last, the molecular docking program AutoDock 3.0[29] was used for the automated molecular docking simulations for the prediction of the binding affinity.

(i) Structural-based modelling of drug action: Now that a structure for the zP2X4 receptor is available, molecular-docking programmes can be used to develop models of how ligand binding to the receptor.

Molecular docking was performed with program GOLD version 3.0.1.

The antibody-antigen docking analyses were conducted using the molecular docking and visual screening program AutoDock vina [ 40].

GOLD 5.0 was used for molecular docking since it was an excellent docking program.

Molecular docking was performed using the commercially available docking program FlexX [ 1].

Molecular modeling of trypsin OGp analogue complexes: All described molecular docking studies were performed by using the flexible docking program Fleksy.

Molecular docking studies were performed using GOLD (Genetic Optimization for Ligand Docking) program version 5.1.

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

Molecular docking was performed with Hex 6.3 molecular graphics program [ 29].