R2Smesh is a computational interface linking the Monte Carlo code MCNP and inventory code FISPACT for accurate shutdown dose rate (SDDR) analysis in fusion reactor.
The paper provides a brief account on the relevant theory and in particular the computational interface relevant for optimization of state-to-state transfer (on the density operator level) and the effective Hamiltonian on the level of propagators along with several representative examples within liquid- and solid-state NMR spectroscopy.
Combined in silico energy calculations on the IN catalytic core domain dimer (PDB ID: 2ITG) and predictions from the Robetta Computational Interface Alanine Scanning Server (http://robetta.bakerlab.org/alascansubmit.jsp), suggest that a W108G substitution can create an energetically unfavorable cavity at the interface, reducing dimerization and higher order oligomerization.
Human computer interfaces make computational science more comprehensible and impactful.
The two-fluid equations are derived in divergence form and an approximate Riemann solver is developed to compute the fluxes of the electron and ion fluids at the computational cell interfaces and an upwind characteristic-based solver to compute the electromagnetic fields.
This simulator is still developing, so there are rooms for improvement in respect of CG rendering, computational speed, interface of simulator, and so on.
After improvement the physical model of brain, computational speed, interface and so on, a quantitative evaluation by surgeons is desirable whether the proposed method is adoptable for movement of their hands.
This study combines two of these computational approaches, interface prediction and docking.
This study combines two of these computational approaches, interface prediction and docking, to obtain atomic-level structures of protein-protein complexes, starting from their unbound components.
Perhaps this would be beyond the scope of the paper as a commentary, but it would be interesting to see whether this is then different at decidedly interdisciplinary programs, for example programs interfacing computational biology / computer science / math.
