Studying the dielectric properties of a protein solution by computer simulation

Article Abstract:

The static and frequency-dependent dielectric properties of a 9 mmol/L ubiquitin solution based on the analysis of a 5 ns molecular dynamics (MD) simulation is reported. It is demonstrated that an MD-based approach can qualitatively reproduce measured dielectric properties of protein solutions and aid in the interpretation of the experimental data. The findings reveal that protein and water self-contributions could be obtained with reasonable accuracy, while some problems were detected for the protein-water cross-term.

Electric properties, Proteins, Aqueous solution reactions

---

Backbone motions of free and pheromone-bound major urinary protein studied by molecular dynamics simulation

Article Abstract:

The molecualr dynamics simulations are used to study the backbone flexibility of free and pheromone-bound major urinary protein I. The flexibility of proteins increases with pheromone binding as observed in the conformation studies and also in the NMR relaxation analysis.

Nuclear magnetic resonance, Pheromones, Chemical properties, Atomic properties, Report

---

Effects of water model and simulation box size on protein diffusional motions

Article Abstract:

Molecular dynamics (MD) simulations are used for examining the effects of the water model on protein diffusional motion. The system size significantly affects the translational diffusion, while the rotational diffusion is found to be nearly size-dependent.

Usage, Diffusion, Diffusion (Physics)

Similar abstracts:

• Abstracts: Spin dynamic study on the electric field dependence of carrier generation. Calculated effects of membrane transport on the long-term response behavior of polymeric membrane ion-selective electrodes

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.