Sentence examples for molecular model to from inspiring English sources

The calculated friction coefficient is passed from the molecular model to the continuum model in the proposed multiscale model.

We presented a molecular model to investigate the relationship between macroscopic conductivity and charge carrier density in polyaniline (PANI) as chemical sensing materials.

Even before the systematic crystallographic studies on VGICs, Lipkind and Fozzard had developed a reasonable molecular model to supposedly describe the binding pockets for tetrodotoxin (TTX) and saxitoxin (STX) in eukaryotic Nav channels (Lipkind and Fozzard, 1994).

At present, it is premature to propose a molecular model to explain the Secteur, because SesA and SesB display weak similarity only with proteins of unknown function.

To fit the latter data we used our molecular model to simulate and reproduce the time-dependent experimental method used in these experiments: we simulated the response of CheY-P levels within populations of 100 immobilized cells to exponential ramps of ligand.

The objectives of the present study were first to identify the MHC and TCR contact residues in the RA-associated epitope using a panel of well-characterized specific T cell hybridomas, second to derive a molecular model to guide APL design, and third, to identify an APL capable of modulating the pro-inflammatory response to the synovial auto-epitope.

Scientists therefore have to resort to a bizarre toolkit of indirect methods such as X-ray crystallography, nuclear magnetic resonance or cryo-electron microscopy to provide the data that allow three-dimensional molecular models to be reconstructed in the computer.

Rigid internal constraints are used in molecular models to speed up molecular dynamics (MD) simulations.

Multiscale modeling and simulation techniques ranging from microscopic molecular modeling to classical continuum modeling are seamlessly coupled.

Here we applied computational molecular modeling to identify ligand recognition mechanisms unique to P. vivax and P. falciparum ADA.

We report the use of molecular modeling to predict the oxidation propensity of methionine residues in proteins.