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Использование термина molecular dynamics simulation на английском
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The model's design was guided and tested by a DOPC moleculardynamicssimulation.
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This structure remains unaltered during the moleculardynamicssimulation at 298 K in chloroform.
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Additional moleculardynamicssimulation studies confirmed the stability of nimbolide and signaling molecules binding interactions.
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Selected encounter complexes were refined by moleculardynamicssimulation to generate structures of bound complexes.
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A moleculardynamicssimulation experiment reported here and recent biochemical studies by others support this hypothesis.
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We adapted this model, and optimized its parameters to reproduce the all-atom moleculardynamicssimulation structural data.
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Solvated moleculardynamicssimulation reveals that the presence of water molecules affects the flexibility of the ligand-binding site.
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This paper tests the aforementioned approach by comparing to a real-time Ehrenfest moleculardynamicssimulation of such a process.
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The approach applied here serves as a prototype for qualitatively investigating other G-DNA molecules using moleculardynamicssimulation and free-energy analysis.
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The recognition of the structure of amphoteric Congo red nanoparticles used for the scaffolding was based on the moleculardynamicssimulation.
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The moleculardynamicssimulation demonstrated that the peak width was strongly related with the conformation of DNA chains adsorbed onto surface.
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Understanding the protein-folding process is an outstanding issue in biophysics; recent developments in moleculardynamicssimulation have provided insights into this phenomenon.
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The results of the moleculardynamicssimulation revealed that puerarin had higher stable binding at the 150-loop region of the NA protein.
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Finally, structural analysis and moleculardynamicssimulation indicated that TPMT*27 was less stable than was the wild type TPMT allozyme.
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Here we report the use of a coarse-grain moleculardynamicssimulation to predict the phases formed by two lipoplex systems: dsDNA-DOPE and dsDNA-DOPE-DOTAP.
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For each antigenic site, ten scaffolds were selected for computational design, and the resulting epitope scaffolds were analyzed using structure-scoring functions and moleculardynamicssimulation.