Sentence examples for molecular modelling has from inspiring English sources

Furthermore, molecular modelling has been used to investigate a potential mechanistic basis for these observations.

Molecular modelling has the ability to provide the atomistic understanding of processes in catalysis.

Molecular modelling has the potential to provide new insights into reaction pathways, to predict properties of catalysts that have not yet been synthesized, and to bring information for a given system from many different experimental techniques into a coherent picture.

Molecular modelling has played an essential role in increasing our molecular-level understanding of the activity and specificity of animal toxins, as well as engineering them for biotechnological and pharmaceutical applications.

Atomistic molecular modelling has been utilized to construct a proton-conducting polymer electrolyte system consisting of poly ethylene oxide) sulfonic acid anion (PEO sulfonic acid anion), water, hydronium ion and proton in an amorphous cell.

Atomistic molecular modelling has been used to construct polymer electrolyte materials consisting of poly ethylene oxide) (PEO), poly ethylene oxide) with sulfonic acid end groups (PEO sulfonic acid) and water in an amorphous cell with periodic boundary conditions.

Circular dichroism and molecular modelling have been used to study changes in conformation.

The principles of molecular modelling have been combined with group interaction modelling (GIM) for the prediction of properties of thermoset resins.

The article concludes that notwithstanding the enormous potentials nanotechnology and advanced molecular modelling have offered in the field, modern models are, in essence, still expanding on the colloidal or layered models suggested in the 60s, rather than providing a ground breaking new approach.

Multiple sequence alignment and molecular modelling have been employed to characterise the predicted ACE3 protein.

Successful attempts to identify selective Cdk4 inhibitors using structure-based chemical design and molecular modelling have been reported.