Results 91 to 100 of about 1,854,178 (340)
FEBS Letters, EarlyView.We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee +3 more
wiley +1 more source
First-principles Calculation of the Formation Energy in MgO-CaO Solid Solutions
, 2001 The electronic structure and total energy were calculated for ordered and disordered MgO-CaO solid solutions within the multiple scattering theory in real space and the local density approximation.
A. Bansil +25 more
core +1 more source
First-principles calculation of entropy for liquid metals. [PDF]
Physical review. E, Statistical, nonlinear, and soft matter physics, 2013 We demonstrate the accurate calculation of entropies and free energies for a variety of liquid metals using an extension of the two-phase thermodynamic (2PT) model based on a decomposition of the velocity autocorrelation function into gas-like (hard ...
M. Desjarlais
semanticscholar +1 more source
Crystals from metallic clusters: A first-principles calculation [PDF]
Physical Review B, 1993 The interactions of the ``magic'' ${\mathrm{Al}}_{12}$Si clusters are studied by first-principles electron-structure calculations. It is shown that clusters arranged into the fcc lattice do not conserve their separated-cluster icosahedral structure but coalesce to form a close-packed metal.
Seitsonen, A. P. +5 more
openaire +3 more sources
Structural biology of ferritin nanocages
FEBS Letters, EarlyView.Ferritin is a conserved iron‐storage protein that sequesters iron as a ferric mineral core within a nanocage, protecting cells from oxidative damage and maintaining iron homeostasis. This review discusses ferritin biology, structure, and function, and highlights recent cryo‐EM studies revealing mechanisms of ferritinophagy, cellular iron uptake, and ...
Eloise Mastrangelo, Flavio Di Pisa
wiley +1 more source
Characterization of platinum nitride from first-principles calculations [PDF]
Journal of Physics: Condensed Matter, 2009 We have performed a systematic study of the ground state properties of the zinc-blende, rock-salt, tetragonal, cuprite, fluorite and pyrite phases of platinum nitride by using the plane wave pseudopotential calculations within the density functional theory. The equilibrium structural parameters and bulk moduli are computed within both the local density
Yildiz, A. +3 more
openaire +6 more sources
Calpain small subunit homodimerization is robust and calcium‐independent
FEBS Letters, EarlyView.Calpains dimerize via penta‐EF‐hand (PEF) domains. Using single‐molecule force spectroscopy, we measured the strength and kinetics of PEF–PEF homodimer binding. The interaction is robust, shows a transient conformational step before dissociation, and remains largely insensitive to Ca2+.
Nesha May O. Andoy +4 more
wiley +1 more source
Using First-Principles Calculation Packages
Hyomen Kagaku, 2007 In order to help those who want to learn first-principles calculations, specification requirements for a computing machine will be shown and a few of first-principles calculation packages will be introduced.
openaire +2 more sources
FEBS Letters, EarlyView.Biomolecular condensates formed by fused in sarcoma (FUS) are dissolved by high ATP concentrations yet persist in cells. Using a reconstituted system, we demonstrate that valosin‐containing protein (VCP), an AAA+ ATPase, counteracts ATP‐driven dissolution of FUS condensates through its D2 ATPase activity.
Hitomi Kimura +2 more
wiley +1 more source
First Principles Calculation of Helical Spin Order in Iron Perovskite SrFeO3 and BaFeO3
, 2012 Motivated by recent discovery of ferromagnetism in cubic perovskite BaFeO3 under small magnetic field, we investigate spin order in BaFeO3 and isostructual SrFeO3 by the first principles calculation.
Iitaka, Toshiaki +3 more
core +2 more sources