Sentence examples for molecular modeling methodologies from inspiring English sources
Molecular modeling methodologies were applied to perform preliminary studies concerning the release of active agents from potentially antichagasic and antileishmanial dendrimer prodrugs.
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).
The first section consists of four chapters that describe strategies for multi-scale quantum models and present an overview of the current state-of-the-art molecular modelling methodologies most relevant to handling these complex systems with quantum mechanics and molecular simulation.
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.
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.
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.
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.
performed molecular modeling.
