Significados de molecular dynamics simulation em inglês

The model's design was guided and tested by a DOPC molecular dynamics simulation.

This structure remains unaltered during the molecular dynamics simulation at 298 K in chloroform.

Additional molecular dynamics simulation studies confirmed the stability of nimbolide and signaling molecules binding interactions.

Selected encounter complexes were refined by molecular dynamics simulation to generate structures of bound complexes.

A molecular dynamics simulation experiment reported here and recent biochemical studies by others support this hypothesis.

We adapted this model, and optimized its parameters to reproduce the all-atom molecular dynamics simulation structural data.

Solvated molecular dynamics simulation reveals that the presence of water molecules affects the flexibility of the ligand-binding site.

This paper tests the aforementioned approach by comparing to a real-time Ehrenfest molecular dynamics simulation of such a process.

The approach applied here serves as a prototype for qualitatively investigating other G-DNA molecules using molecular dynamics simulation and free-energy analysis.

The recognition of the structure of amphoteric Congo red nanoparticles used for the scaffolding was based on the molecular dynamics simulation.

The molecular dynamics simulation demonstrated that the peak width was strongly related with the conformation of DNA chains adsorbed onto surface.

Understanding the protein-folding process is an outstanding issue in biophysics; recent developments in molecular dynamics simulation have provided insights into this phenomenon.

The results of the molecular dynamics simulation revealed that puerarin had higher stable binding at the 150-loop region of the NA protein.

Finally, structural analysis and molecular dynamics simulation indicated that TPMT*27 was less stable than was the wild type TPMT allozyme.

Here we report the use of a coarse-grain molecular dynamics simulation to predict the phases formed by two lipoplex systems: dsDNA-DOPE and dsDNA-DOPE-DOTAP.

For each antigenic site, ten scaffolds were selected for computational design, and the resulting epitope scaffolds were analyzed using structure-scoring functions and molecular dynamics simulation.