Sentence examples for binding structures obtained from from inspiring English sources

Binding structures obtained from flexible docking analyses and MD simulations are in agreement with experimental results.

In the present study, we investigated zinc binding groups (ZBGs) using the coordinates of protein ligand complex structures obtained from the Protein Data Bank.

Structures obtained from MD simulations were devoid of hydrogen atoms to resemble the crystal structure.

TcB TcC structures obtained from the cryo-EM structures of ABC WT) and ABC D651A) are shown in c.

The protein sequences were obtained with the babel software, using as input the structures obtained from the PDB database Fig. 5 Similarity of the sequence and the 3D patterns in the ACR binding proteins.

(B ) Similarities among structures obtained from different ICA results.

To assess the ability of any given linker shape to fit into the protein-binding site, the reducing terminal residue in the bound glycan was superimposed onto the corresponding monosaccharide in the monosaccharide-linker structures obtained from the MD simulations.

The predicted pocket also coincided with the binding site of the ligand present in the co-crystallized structure obtained from PDB (1BKC).

The structure obtained from MD simulations at 300 K was assumed to represent the native state.

Alternatively, if no ligands are available in the crystal structures, known binding site residues obtained from the catalytic site atlas (Porter et al., 2004) and literature were used.

Advances in defining the structure of the CA SP1 boundary region in the context of assembled immature Gag will be required for the precise determination of the bevirimat binding site, although insights into the mechanism of maturation inhibitor binding were obtained from the study of the structurally distinct compound PF-46396.