Sentence examples for molecular modelling methods from inspiring English sources

Inclusion complex of fluconazole with β-cyclodextrins (β-CD) were investigated by applying NMR and molecular modelling methods.

The thermodynamic factors influencing the ability to polymerize of these three lactones and other cyclic diesters in the glycolide series were studied using molecular modelling methods.

Different start conformations have been considered based on different molecular modelling methods + a structure from the pdb.

A three-dimensional model of the PRH homeodomain bound to its consensus DNA sequence was built using sequence alignment and molecular modelling methods [ 29].

Two strategies are widely used to investigate sequence structure function relationships: statistical methods to analyse protein families or mutant libraries, and molecular modelling methods to study proteins and their interaction with ligands or substrates.

Extracts were screened for their potential antioxidant through a panoply of assays; their anti-diabetic potential, and plausible inhibitory activity against tyrosinase and acetylcholinesterase. Molecular modelling methods were also used to assess the docking properties of phenolic compounds on tyrosinase.

On the other hand, the SNP effects on protein functions were inferred by modelled structures because the molecular modelling method has been found useful for estimating the effects of the substitution of amino acid residues on protein function.

One of the possible solutions is development of the hybrid molecular modeling methods.

Modes of action were studied by FT-IR spectroscopy and molecular modeling methods.

In this work, structures of the native (Amyl-C) and truncated Taka amylase were compared by molecular modeling methods.

Compounds of interest were probed using thermal melting, circular dichroism, mass spectrometry, biosensor-SPR, and molecular modeling methods.