To investigate the backbone dynamics of roteins I5N longitudinal and transverse relaxation experiments combined with (lH, r5N] NOE measurements together with molecular dynamics simulations were carried out using ribonuclease TI and the complex of ribonuclease TI with 2'GMP as a model protein. The in
Order and fluctuations in nonequilibrium molecular dynamics simulations of two-dimensional fluids
β Scribed by M. Mareschal; E. Kestemont
- Publisher
- Springer
- Year
- 1987
- Tongue
- English
- Weight
- 664 KB
- Volume
- 48
- Category
- Article
- ISSN
- 0022-4715
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The computer simulation technique of molecular dynamics was applied to a model twodimensional fluid mixture system to examine the short-range ordering of lipid and protein molecules in biological membranes. The model system consists of small disks (lipids) and large disks (proteins) with a radius ra
We present coefficients for transfer of heat and mass across the liquid-vapor interface of a one-component fluid. The coefficients are defined for the Gibbs surface from nonequilibrium thermodynamics and determined by nonequilibrium molecular dynamics simulations. The main conductivity coefficients
We present evidence for the hypothesis of local equilibrium for a liquid-vapor interface in a one-component fluid, using molecular dynamics simulations. Lennard-Jones/spline particles are studied in a two-phase system that is out of global equilibrium. Equilibrium simulations are first used to estab
Molecular dynamics simulation is used to investigate the crystallization of a classical two-dimensional electron system, in which electrons interact with the Coulomb repulsion. From the positional and the orientational correlation functions, we have found an indication that the solid phase has a qua