Sentence examples for modeling and ligand from inspiring English sources

PR performed the molecular modeling and ligand docking experiments.

Users can use our automated mutant structure modeling and ligand docking simulation services in the first two options (Fig. 3).

We hypothesized that these mutations can be identified by combining recent advances in computational methods for protein structure modeling and ligand docking simulation.

Using homology modeling and ligand docking, the present study analyzes the similarities and differences between binding sites, and between extracellular loops of the three subtypes of α2-ARs.

The binding modes of E-64c to papain combined with molecular modeling and ligand design using the crystal structure of cruzain have been used to develop new, potent d-Homophenylalanyl epoxysuccinate inhibitors of cruzain, the major cysteine protease of Trypanosoma cruzi.

The general protocol and the structure-based sequence alignment for homology modeling and ligand docking is as described there and earlier [35].

We used a combination of site-directed mutagenesis, homology modeling, and ligand-docking simulations to analyze antagonist-receptor interactions.

We therefore focused on the use of the homology model and ligand interaction in the C-terminal portion and did not attempt to predict other ligand interactions in the N-terminal portion.

Mouse IgG and anti-mouse IgG antibody were the model capture and ligand molecules for this study.

Model A, corresponding to the evolution of a set of ten protein sequences (shown in Table 1) evolving to the alternative fates shown in Figure 1 and Model B corresponding to the evolution of the same set of proteins evolving without allowing subfunctionalization. Cells that did not bind ligands A and B (Model A) and ligands A and B in the same molecule (Model B) died.

The scoring function which is a force field to evaluate the energy of the docking conformation is helpful to explore the binding model receptors and ligands.