Sentence examples for molecular simulation to from inspiring English sources

The Center for Carbon Capture, Utilization, and Storage supports a solutions-focused portfolio of projects ranging from molecular simulation to materials design to systems analysis.

We use coarse-grained molecular simulation to study the effects of precursor choice on the predicted network structure and properties.

This paper describes applications of molecular simulation to microelectronics processes and the subsequent development of techniques for multiscale simulation and multiscale systems engineering.

We use explicit solvent all-atom molecular simulation to study the thermodynamics of the ribosomal decoding site and its interaction with gentamicin.

Some of the areas in which we anticipate, over the next five years, notable advances in the application of molecular simulation to problems in heterogeneous catalysis are considered, in the context of recent progress to date.

Here we use molecular simulation to predict the structure of the [100] and [010] interfaces of α-chitin and β-chitin dihydrate in contact with liquid water and saline solution.

Finally, fluorescence-derived distances can be used to guide molecular simulations to find low energy states.

The researchers at Northwestern University ran extensive molecular simulations to show that the RHP would interact favorably with protein surfaces, leading to correct protein folding and stability outside of the cell.

In this letter, we combine theoretical analysis and molecular simulations to demonstrate a facile mechanism of directional transport of molecular mass on graphene by a simple stretch.

We use the SAP (spatial-aggregation-propensity) technology based on molecular simulations to determine the aggregation-prone motifs in the constant regions of IgG1 classes of antibodies.

We use molecular simulations to explore how sample dimensions and interfacial properties impact some generic aspects of the mechanical and structural behavior of nanoconfined materials.