Results 91 to 100 of about 19,443,010 (390)
Crystal structure prediction via particle-swarm optimization [PDF]
, 2010 We have developed a method for crystal structure prediction from ``scratch'' through particle-swarm optimization (PSO) algorithm within the evolutionary scheme.
Yanchao Wang +3 more
semanticscholar +1 more source
Molecular Oncology, EarlyView.We identified adaptor protein ShcD as upregulated in triple‐negative breast cancer and found its expression to be correlated with reduced patient survival and increased invasion in cell models. Using a proteomic screen, we identified novel ShcD binding partners involved in EGFR signaling pathways.
Hayley R. Lau +11 more
wiley +1 more source
N1-[(1H-Imidazol-2-yl)methylidene]-N4-phenylbenzene-1,4-diamine
Acta Crystallographica Section E, 2014 The title compound, C16H14N4, is non-planar with dihedral angles between the planes of the imidazole and phenylenediamine rings of 30.66 (4)° and between the planes of the phenylenediamine and N-phenyl rings of 56.63 (7)°.
Md. Serajul Haque Faizi +3 more
doaj +1 more source
, 2015 Employing virtual crystal approximation and super-cell methods for doping, we have performed a comparative study of the electronic structures of various doped BaFe$_2$As$_2$ materials by first principles simulations.
Ghosh, Haranath, Sen, Smritijit
core +1 more source
Report on the sixth blind test of organic crystal structure prediction methods
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials, 2016 The results of the sixth blind test of organic crystal structure prediction methods are presented and discussed, highlighting progress for salts, hydrates and bulky flexible molecules, as well as on-going challenges.
A. Reilly +91 more
semanticscholar +1 more source
The Crystal Structure of Topaz [PDF]
Proceedings of the National Academy of Sciences, 1928 An investigation of the orthorhombic crystal topaz, Al2SiO4F2, with x-rays has been reported by Leonhardt. With the aid of data from Laue and rotation photographs he found for the edges of the unit of structure, containing 4Al2SiO4F2, the values d100 = 4.64 A, d010 = 8.78 A, and d001 = 8.37 A, and determined the space-group of the crystal to be V16h. A
openaire +4 more sources
TRPM8 levels determine tumor vulnerability to channel agonists
Molecular Oncology, EarlyView.TRPM8 is a Ca2+ permissive channel. Regardless of the amount of its transcript, high levels of TRPM8 protein mark different tumors, including prostate, breast, colorectal, and lung carcinomas. Targeting TRPM8 with channel agonists stimulates inward calcium currents followed by emptying of cytosolic Ca2+ stores in cancer cells.
Alessandro Alaimo +18 more
wiley +1 more source
Crystal structure of binase does not reflect its native conformation
Учёные записки Казанского университета: Серия Естественные науки, 2018 Cytotoxic ribonucleases (RNases) of the T1 family, including binase, the secreted guanyl-preferring RNase of Bacillus pumilus, are considered as promising agents of alternative anticancer chemotherapy.
E.V. Dudkina +5 more
doaj
Potassium 4-azidobenzenesulfonate
Acta Crystallographica Section E, 2014 In, K+·SO3–p-C6H4–N3−, the conformation angle of the azido group with respect to the benzene ring is 19.1 (3)°, so that the anion is chiral within the crystal structure. In addition, the crystal structure is also chiral (Sohncke space group).
Frank Biesemeier +3 more
doaj +1 more source
Crystal Structures of Furazanes [PDF]
Crystals, 2015 Several nitrogen-rich salts of 3-nitramino-4-nitrofurazane and dinitraminoazoxyfurazane were synthesized and characterized by various spectroscopic methods. The crystal structures were determined by low temperature single crystal X-ray diffraction. Moreover the sensitivities toward thermal and mechanical stimuli were determined by differential thermal ...
Klapötke, Thomas M. +2 more
openaire +4 more sources