Sentence examples for molecular modeling methodology from inspiring English sources

We present a molecular modeling methodology to investigate the effect of functional group on the working range of polyaniline sensors for carbon dioxide (CO2) in agriculture industry.

These intitial findings were further validated with checkerboard, berberine accumulation efflux assays using efflux-related phenotypes and clinical isolates as well as molecular modeling methodology.

The molecular modeling methodology began with the alignment of the target protein to be determined (HsZNF706) with the templates (related known three-dimensional protein structures).

A scientific design methodology based on molecular modeling tools available today is presented for arriving at the most suitable reagent combinations for a given flotation separation problem.

A molecular modeling example is used to clearly illustrate that the proposed methodology is capable of finding a global minimum without calculating all stationary points and can lead to significant reductions in computational work.

In order for the molecular modeling to be useful however, one must demonstrate that the computational methodology produces accurate results compared to known experimental data.

Process designs and simulations have been carried out with a computer-aided methodology recently developed in our group that integrates molecular modeling and process simulation via COSMO-based thermodynamic models in Aspen Plus.

A computer-aid methodology recently developed in our group that integrates the molecular modeling and the process simulation via COSMO-based thermodynamic models in Aspen Plus is used.

improve the accuracy of the modeling methodology.

Fig. 2 Automated QSAR modeling methodology.

Computational chemistry and molecular modeling studies.