Fig. 4. PF simulation on dendrite morphology evolution along with solidification time, colors indicate dendrites with different crystal orientations. [108]. To represent the periodic structure of metal crystals in the atomic scale, an extension of PF method is introduced and known as the Phase-Fie...
Simulation of the Crystal Structure of GelSimCn Compounds and the Study of Their Electronic StructureGeSiC2chalcopyriteGeSi2Cquasi-chalcopyriteGe2SiCanti-chalcopyriteHypothetical crystals GeSiC2, Ge2SiC, and GeSi2C with an ordered arrangement of Ge, Si, and C atoms in the cationic and anionic sub...
(D) A sample of the top solutions to the simulation of full-length, autoinhibited PKCβII indicating the uncertainty in the placement of the C1A domain (shown in blue). See also Figure S1. Discussion The central finding in this study is that the NFD helix is a linchpin of the regulati...
higher-quality models than a single trained crystallographer. This concept was remarkably reminiscent of ideas recently championed by the online protein-folding computer game Foldit5. On the basis of the success of the undergraduate students in improving a published crystal structure, we hypothesized...
High-performance compu-ting for simulation makes deeply understanding of micro-level-material possi-ble. In this paper, a new data structure is proposed for the parallel simulation of metal materials evolution with crystal structure under irradiation defects. Com-pared with LAMMPS and IMD, which are...
Structure of a potentially open state of a proton-activated pentameric ligand-gated ion channel. Nature 457, 115–118 (2009). CAS PubMed Google Scholar Bocquet, N. et al. X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation. Nature 457, 111–114 (...
Comprar Crystal Growth Technology: From Fundamentals and Simulation to Large-scale Production | Hans J. Scheel | 9783527317622 | Wiley Tienda online donde Comprar Crystal Growth Technology: From Fundamentals and Simulation to Large-scale Production al precio 193,91 € de Hans J. Scheel | P... H...
p3 - This computational setup thus allows us to calculate the response functions of the structure at a given k for a wide range of frequencies in a single simulation run. ~Notice that this is not a constant incidence angle calculation. At a fixed parallel wave vector k, the incidence angle...
The crystal structure of 1-phenyl-1-tert-butyl-3-methyl-1,3-dihydroisobenzofuran is mathematically simulated using the discrete modeling of molecular packings and studied by X-ray diffraction. The simulation is performed for two isomers of the initial chemical compound that are possible from the ...
The X-ray crystal structure of the human protease-activated receptor 1 (PAR1) bound to vorapaxar, a PAR1 antagonist, has been determined at 2.2 Å resolution. PAR1, also known as the thrombin receptor, is a G protein-coupled receptor that mediates cellular responses to the coagulation prote...