Sentence examples for molecular simulations to from inspiring English sources

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

However, high computational cost restricts the molecular simulations to their applications to nanoscale systems and time scales below microseconds.

This simple model can offer alternatives to more computationally expensive molecular simulations to study the pore proximity phenomenon.

Wang et al. [122] used molecular simulations to investigate the interactions between DOM and fullerene (C 60), a typical carbon nanoparticle.

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.

This knowledge gap has been increasingly eroded, however, since the first use of molecular simulations to explore RO membrane structure and dynamics in the late 1990s.

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.

We have compared the conformation of AROS/Sirt-1 complex before and after the molecular simulation to verify how the mutual interactions changed.

Molecular mechanics force fields are the workhorse of computational chemists for molecular simulations, owing to their low computational demands compared to CPU-intensive quantum mechanical methods.