Sentence examples for molecular simulation approach from inspiring English sources

The studies include multi-spectroscopic and molecular simulation approach with theoretical calculations [13 15].

A molecular simulation approach of polypyrrole nanoparticles was done considering full networking of 12 pyrrole rings joined in hexagonal arrangements.

One way to circumvent this issue is to use a molecular simulation approach in which each domain can be directly observed.

Molecular simulation approaches have been used to enhance the understanding of complex chemical interactions in coatings related processes.

To investigate the conversion process of base flipping in the HhaI methyltransferase (M.HhaI), we performed different molecular simulation approaches on M.HhaI-DNA-S-adenosylhomocysteine ternary complex.

With the development of the molecular simulation approaches, novel drug targets of immense potential can be easily identified and can be used as lead molecules for the development of new drug targeted strategies.

In this analysis, we applied molecular modelling and molecular dynamics simulation approach to examine the structural and functional behaviour of P protein upon mutation.

In order to explore whether 7a could trigger the inhibition against these two NAs in the same way, a serial molecular dynamics simulation approach were applied in this study.

In this study, using classical molecular dynamics simulation approach, we have investigated the effects of nanoparticle dispersion and the intensity of filler and matrix interface attractions on the mechanical properties of buckyball reinforced polyethylene nanocomposites.

In this work we applied an atomistic molecular dynamics simulation approach to model the influence of the addition of 1 wt% and 2 wt% water on the simulated shape-memory behavior of the amorphous switching domains of poly l-lactide) (poly l-lactideolecular weight of Mn = 52,000 g mol−1.

Molecular dynamics simulation approach was applied for refinement of predicted structure of native and mutant TYR proteins.