Sentence examples for molecular modelling we from inspiring English sources

By means of molecular modelling we attempted to get informations towards comprehension of differences in activity.

Using molecular modelling, we have defined three murine IL-1β peptide regions characterized by their close proximity to the receptor.

On the basis of results from theoretical computational methods and molecular modelling we have designed and developed a synthetic route towards novel, biologically active tricyclic derivatives of carbapenems.

Using site-directed mutagenesis, protein-protein interaction analyses and molecular modelling, we have identified a conserved hydrophobic surface on the C-terminal domain of Nse3 that interacts with Nse4 and identified residues in its N-terminal domain that are essential for interaction with Nse1.

Using molecular modeling, we identified differences in the water-mediated network at this position between bromodomains.

By nuclear magnetic resonance and molecular modeling, we demonstrated that the YSNSG cyclopeptide actually adopted the expected β-turn conformation.

From molecular modeling, we identify their median position and estimate that they undergo fluctuations of at least 30 Å.

With molecular models, we seek to understand how imprinted materials are created and what happens to TSAs and substrate molecules in these imprinted cavities to become eutomers.

Previously with the use of molecular modeling, we have shown that stable C60-DNA complex is formed after C60 fullerene binding with DNA [5].

By molecular modeling, we found that all the five phosphosites present in the CH and EBH domains were exposed to the surface of EB1 (Fig. S1E).

Therefore, using molecular modeling, we proved that the binding free energies were positively correlated with the migration abilities of the PCBs.