Sentence examples for molecular model based from inspiring English sources

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.

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.

The basic idea is to first construct a molecular model based on the actual components of the rock fluid system, then to compute the interaction force between the rock and the fluid of different densities through the MD simulation.

Therefore, a molecular model based on the reaction-diffusion system that does not conflict with this formal model is to be proposed in the future.

A molecular model based on the high-resolution structure of CRP indicates that Asp is located at the interface of the dimerization helices, the negative charge associated with this residue preventing dimerization [ 17].

It provides a molecular model based on the crystal structure of the human DC-SIGNR carbohydrate recognition domain (CRD) [ 56] and presented a model-score of 1.00 (a model is predicted to be good when the model score is higher than 0.7).

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

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.

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.

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