Sentence examples for molecular models used from inspiring English sources

Conversely, such experimental data also provide a test of the validity of alternative choices for the molecular models used in simulations, indicating their possible deficiencies.

The molecular models used were based on experimental representations of coal chars derived from the vitrinite- and inertinite-rich South African coals at 1000 °C.

This new link energy function is founded on molecular models used to characterize the potential energy stored in bonds forming molecules, which include the effects of bond breakage [10, 11].

The best way to reveal DNA's 3-D structure might well then have been through building molecular models using Cochran and Crick's equations.

With open-source Copernicus software, other researchers can run simulations, including molecular models, using processer time on multiple supercomputers or computing clusters, rather than home computers.

To rationalize these observations, we translated the distance information into molecular models using the biomolecular docking program, HADDOCK [20], [21].

By considering these calculations we show the transfer of real surface structures to a molecular model used in MFD simulations.

The molecular modeling using DFT method are drawn showing the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all title compounds.

Therefore, we have determined some parameters of three cationic surfactants by molecular modeling, using the CHEM 3D bio.

Barrett, Stull, Hsu, and Hegarty (2015) designed an application that allowed users to manipulate a virtual molecular model using a haptic input device.

The determination of protein copy numbers and membrane densities on pancreatic ZGs represents a significant advance towards building a comprehensive molecular model, using quantitative proteomics approaches, for any given subcellular organelle.