Sentence examples for molecular models obtained from inspiring English sources

Molecular models obtained from structure-based docking rationalized the enzymatic data.

The molecular models obtained should allow the rational design of more specific analogs of 15d-PGJ2.

Furthermore, molecular models obtained for the four peptides in solution were used in rigid docking simulations with a heparin model.

The chapter also presents the inherent strengths and limitations of molecular models obtained by X-ray diffraction.

In overall, the molecular models obtained are highly informative since their templates present high resolution and molecular modeling included alignment optimization, loops refinement, secondary structure prediction and metalloclusters positioning.

The molecular models obtained for their structural-functional classification confirm conservation of residues typical of DyPs at both sides of the heme cofactor (Linde et al. 2015b), as well as the surface tryptophan residue recently identified as responsible for high-turnover substrate oxidation by long-range electron transfer (Linde et al. 2015a).

Here we present the cryo-EM structure of Nautilus hemocyanin at 9.1 Å resolution (FSC1/2-bit criterion), and its molecular model obtained by rigid-body fitting of the individual FUs.

The presence of the highly conserved motif "EPN" and "WND" in the CTLD of PdC-Lectin argues in favour of the specificity for mannose binding in a Ca2+-dependent manner [ 53] and the molecular model obtained using the MODWEB server reveals that all residues involved in this binding specificity are located in similar predicted structures by comparison with the human DC-SIGNR CRD.

Structure activity relationships have been explained analyzing the three-dimensional structure of the antagonist-receptor models obtained by molecular docking simulation.

Structural models obtained using molecular-dynamics (MD) simulations with an empirical and an embedded-atom potential, as well as structural data on liquid lead obtained from neutron and X-ray diffraction by other authors, have been put to a test using our new experimental results.

To confirm the binding models obtained from our molecular docking studies showing that hydrogen bonds are formed between a bioflavonoid molecule and the amino acid residues Q189 and H193 of COX II (Figure 4E), we used the site-directed mutagenesis approach to verify the functional role of these two amino acid residues.