Simulation and modeling of the rhodobacter sphaeroides bacterial reaction center II: Primary charge separation

Article Abstract:

The molecular dynamics modeling of the primary charge separation in the photosynthetic reaction center (RC) of rhodobacter sphaeroides is highlighted. The kinetic parameters for the electron transfer along the active and inactive sides are obtained from a long MD trajectory, 3.4 ns, of the RC in an amphophilic environment made of detergent and water.

Analysis, Bacteria, Molecular dynamics, Electron transport, Photosynthesis

---

Simulation of hydrated BPTI at high pressure: changes in hydrogen bonding and its relation with NMR experiments

Article Abstract:

Structural changes occurring during the hydrated bovine pancreatic trypsin inhibitor (BPTI) at varying hydrostatic pressure is presented. The series of nanosecond constant pressure simulations of BPTI at increasing pressure shows differences in hydrogen bonds lengths and distribution of AMBER and CHARMM force fields.

Hydrogen bonding, Thermal properties, High pressure chemistry, Trypsin inhibitors

---

Molecular modeling and simulations of AOT-water reverse micelles in isooctane: Structural and dynamic properties

Article Abstract:

Results from four nanosecond constant pressure and temperature simulations of sodium di-2-ethylhexysulfoccinate and water reverse micelles (RM) in an apolar solvent, isooctane is reported. Further, the problems of the shape of the RM and of its hydrophilic inner core are described.

Simulation methods, Simulation, Micelles

Similar abstracts:

• Abstracts: Probing the contribution of electronic coupling to the directionality of electron transfer in photosynthetic reaction centers
• Abstracts: Mathematical modeling of reactive phase separation in the system Rh(110)/K/)2+H2. Temperature-programmed reduction study on calcination of nano-palladium
• Abstracts: Density functional theory of water-gas shift reaction on molybdenum carbide. Characterization of molybdenum carbides for methane reforming by TPR, XRD, and XPS
• Abstracts: Effects of concentration and temperature on SDS monolayers at the air-solution interface studied by infrared external reflection spectroscopy
• Abstracts: Activation barrier scaling for the spontaneous evaporation of confined water. Homogeneous boundary of the attainable superheat of liquids by the "Theory of Surges"

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