Sentence examples for molecular models based from inspiring English sources

One tool that modern chemistry now has at its disposal (which Watson and Crick did not have) are accurate molecular models based on quantum mechanical calculations.

Multiple crystal structures and molecular models based on gene sequences have been published for MnP and VP (e.g. Sundaramoorthy et al.1997 Sutherland et al.1997andMoreira et al.2005).2005

Molecular models based on the crystallographic coordinates of DSD (PDB accession code 1G6U) show that these side-chains pack in the central cavity (the "supercore") of the hexameric bundle.

Utilizing molecular models based on the crystal complex between Opsin/Gt-peptide and functional data by site-directed mutagenesis, we identified intracellular interfaces between TSHR and different G-proteins.

3D molecular models based on NMR data were thus obtained for each molecule.

In addition, molecular models based on the 3D structures of the HRM of B1/secretin-like GPCR of the GLP receptor group show that features crucial for ligand binding are not conserved in aGPCR, although hormone binding to secretin-type HRM might differ.

A novel approach of stochastic molecular modeling based on basic sciences and computer algorithms was used to model complex cellulose hydrolysis process.

We use a molecular model based on atomistic simulations called 2-shell water coordination number to predict the oxidation rates for several model proteins and therapeutic candidates.

Using molecular modelling based on HF/6-31G∗ ab initio calculation the activation of O2 on the surfaces of these complexes has been modeled.

Molecular modeling based upon the density functional theory (DFT) indicated that hydrogen bond interactions may take place between sulfone oxygen groups with NH groups of the PBI.

The structure of the networks was predicted with a molecular model based on a mean field approach (recursive model) taking into account the initial composition of the reactants.