Sentence examples for simulation and functional from inspiring English sources

Further quantum simulation and functional validation support that the distinct binding energies with various anions to YnaIMet158 facilitate Na+/K+ pass through, which was defined as binding-block mechanism.

It is currently not clear to which p53 cysteines MQ binds, although docking simulations and functional studies in cells have indicated that C124 is one possible target.

Molecular dynamics simulations and functional analysis of suitable mutants will be required to differentiate between the two proton paths, which both appear equally likely on the basis of the x-ray structures.

Central to the review, letter acuity is posited as a reference measurement so that results and performance trends across the various simulation models and functional assessment tasks can be more readily compared and generalized.

Simulations and functionals boxplots have been produced using R 3.2.0, with the package FDA.

In this work a hierarchical multiscale approach combining grand canonical Monte Carlo simulation and density functional theory calculation was performed to study the effect of the chemical properties of nine organic linkers on CO2/CH4 mixture separation in metal organic frameworks (MOFs).

In this work, a hierarchical multiscale approach combining grand canonical Monte Carlo simulation and density functional theory calculation was performed to study the effect of doping different metal atoms on CO2/CH4 mixture separation in metal organic frameworks (MOFs).

We characterized the structures, dynamics, stability, dimerization state, and activity using NMR, molecular dynamics simulations, fluorescence, and functional assays.

This was tested using the simulation with structural and functional constraints.

We used C++ programing language to create individual-based simulation model and Haskell functional programming for scripting purposes.

Molecular dynamics (MD) simulations and density functional theory (DFT) calculations were performed to elucidate the possible degradation mechanisms.