Sentence examples for using the conformation of from inspiring English sources

To further investigate similarities between their structural elements, molecular dynamics simulations were performed using the conformation of griffithsin residues 18 31 as a homology template for the starting structure of GRFN-1.

We use the conformations of the real proteins in the Protein Data Bank (PDB) and present computationally efficient methods to identify the sequences with minimum energy.

Another probe design uses the conformation alteration of the probe that results from cleavage of the substrate by the DNAzyme.

Fig. 1 Two heat map strips of dissimilarity scores using the original conformation of quercetin from 1H1I (right), and six generated conformations (left) against the PDB ligands.

To investigate whether AHP adopts two different conformations found in Clusters 1 and 2 or one of the two, a second round of 20 10-ns-long simulations on AHPBoNTAe were carried out using the representative conformation of AHPBoNTAe in Cluster 2 as an initial conformation.

The assumption is that superior performance in 3D searching (pharmacophores, shape similarity) should be obtained when using the bioactive conformation of a query molecule for searching for other active molecules.

The structure was solved using the "closed" conformation of LmUGP, and we see that TbUGP is also in the closed conformation and appears to be even more firmly closed onto the substrate.

However, when the simulations were repeated using the intermediate conformation of MCT1 (MCT1_Int) as the starting point, little movement from the initial position was observed, indicating a strong interaction of AR-C155858 with MCT1 at this location.

With the specially designed plates, this system can be used whatever the conformation of the segment instrumented is kyphotic or lordotic.

When every ligand was docked to a target, the Lamarckian genetic algorithm were used optimize the conformation of ligand in the binding pocket.

Previously we had tested the ability of the program to reproduce crystal structures of proteins in complex with small molecules and found that EUDOC reproduced 97% of 154 crystal structures using the bound conformations of both proteins and their small-molecule partners [3].