Sentence examples for uses the crystal structure from inspiring English sources

For example, one such in silico DTI prediction method [6] uses the crystal structure of the target binding site to yield a good prediction of druggability and to identify the less-druggable targets before the deployment of any substantial funding and effort for experiments.

In the structural model of NcLPMO9C built using the crystal structure of NcLPMO9D (PDB 4EIR [ 44]), three asparagine residues exposed at the surface of NcLPMO9C were suggested to be involved in the interaction with oligosaccharides, constituting the +2 subsite [ 30].

A three-dimensional structural model of ANTR1 was constructed using the crystal structure of glycerol 3-phosphate/phosphate antiporter from E. coli as a template.

Robetta successfully created 5 potential structural models of the VACV G8R protein using the crystal structure of yeast PCNA (PDB 1SXJ) [53] as a template.

(B) Residues chosen for generating the NAD+ binding pocket library were shown using the crystal structure of KGSADH complexed with NAD+ (PDB 5X5U).

Using the crystal structure of the yeast proteasome, we modeled the structure of the human proteasome in complex with 1.

We used the crystal structure of H-2Ld with a mixture of bound peptides at 3.1 A to construct a model of the allogeneic 2C-Ld/QL9 complex for comparison with the syngeneic 2C-Kb/dEV8 structure.

A structure model for PLRV CP was designed by protein homology modeling, using the crystal structure of RYMV as a template.

A molecular model of Pfmrk designed using the crystal structure of human CDK7 highlights key amino acid substitutions in the ATP binding pocket.

A homology model of Shigella-CS with the flavin mononucleotide (FMN) binding was constructed using the crystal structure of CS from other species.

Further molecular docking studies were carried out using the crystal structure of urease to find out the binding mode of the inhibitors with the enzyme.