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Acta Crystallographica Section A Foundations and Advances, ISSN 2053-2733, 08/2018, Volume 74, Issue a2, pp. e40 - e40
Journal Article
Acta Crystallographica Section A, ISSN 2053-2733, 01/2015, Volume 71, Issue 1, pp. 59 - 75
This paper describes the mathematical basis for olex2.refine, the new refinement engine which is integrated within the Olex2 program. Precise and clear... 
restraints | Olex2 | refinement | constraints | least squares | small molecules | CIF | CHEMISTRY, MULTIDISCIPLINARY | CRYSTALLOGRAPHY | Constraints | Computation | Mathematical analysis | General overviews | Derivatives | Anatomy | Physical properties | Engines | Displacement
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 04/2009, Volume 42, Issue 2, pp. 339 - 341
New software, OLEX2, has been developed for the determination, visualization and analysis of molecular crystal structures. The software has a portable... 
computer programs | metadata | graphical user interfaces | visualization and analysis | data harvesting | OLEX2 | Metadata | Data harvesting | Visualization and analysis | Computer programs | Graphical user interfaces | CRYSTALLOGRAPHY | Structure | Crystals | Software | Molecular biology | User interface | Crystallography | Crystal structure
Journal Article
Acta Crystallographica Section A Foundations and Advances, ISSN 2053-2733, 12/2017, Volume 73, Issue a1, pp. a164 - a164
Journal Article
Inorganica Chimica Acta, ISSN 0020-1693, 05/2018, Volume 477, pp. 66 - 74
Antimicrobial and cytotoxic activities of silver are due to its ionised Ag+ form, and its ability to cause damage to cells by interacting with cell membrane... 
Hydrazones | Apoptosis staining | Antimicrobial activity | DNA- and BSA-binding | FLUORESCENCE SPECTROSCOPY | BENZYL CARBAZATE | ALPHA-KETOGLUTARIC ACID | ANTIOXIDANT CAPACITY | CHEMISTRY, INORGANIC & NUCLEAR | COPPER(II) COMPLEXES | THERMAL-BEHAVIOR | X-RAY STRUCTURES | METAL-IONS | BOVINE SERUM-ALBUMIN | Albumin | Schiff bases | Structure | Analysis | Escherichia coli | Crystals
Journal Article
Acta Crystallographica Section A Foundations and Advances, ISSN 2053-2733, 08/2014, Volume 70, Issue a1, pp. C1730 - C1730
Olex2 [1] is free, open source software which has been in the development at Durham University since 2004, with first public releases appearing in 2008. It is... 
Journal Article
Acta Crystallographica Section A Foundations and Advances, ISSN 2053-2733, 08/2014, Volume 70, Issue a1, pp. C1266 - C1266
Crystal structure analysis used to be a highly complex process requiring expensive and specialised instrumentation, high-end computing and a lot of prior... 
Journal Article
European Journal of Inorganic Chemistry, ISSN 1434-1948, 05/2017, Volume 2017, Issue 19, pp. 2585 - 2594
Two CoII–CoIII mixed‐valance complexes of molecular formulas [Co2(H2L)2(H2O)2][Co2(H2L)2(H2O)(m‐phth)]·8(H2O) {1; H2L2– =... 
Single‐ion magnets | Cobalt | Structure elucidation | Magnetic properties | Single-ion magnets | Cytokinins | Spin coupling | Dimethylformamide | Valence | Crystals
Journal Article
Vadose Zone Journal, ISSN 1539-1663, 2019, Volume 18, Issue 1, pp. 1 - 13
Core Ideas For preferential flow modeling, different macropore types must be considered. A method was developed for separating biopores and cracks in 3D images... 
Journal Article
Polyhedron, ISSN 0277-5387, 01/2019, Volume 157, p. 39
One dinuclear and one 1D polymeric nickel(II) complex, namely {[Ni.sub.2(HL).sub.2(pa).sub.2(H.sub.2O).sub.2]*DMF} (1) and... 
Crystals | Fluorescence | Nickel | Structure | Magnetic properties
Journal Article
Polyhedron, ISSN 0277-5387, 11/2018, Volume 155, pp. 447 - 456
Tetranuclear Cu(II) complexes with double-open-cubane like core frameworks were synthesized and characterized by crystal structure analysis. Interactions of... 
Tetranuclear copper(II) | Serum albumin binding | CT-DNA binding | Double-open-cubane | Crystal structure | CRYSTALLOGRAPHY | CHEMISTRY, INORGANIC & NUCLEAR | Diffraction | X-rays | Crystals | Copper compounds | Fluorescence | Albumin | Structure
Journal Article
Polyhedron, ISSN 0277-5387, 09/2016, Volume 115, pp. 155 - 163
The interactions of a Ni(II) compound with CT-DNA and serum albumins were studied using electronic absorption and fluorescence spectroscopic techniques. The... 
Catecholase activity | Ni(II) complex | DNA binding studies | Serum albumin binding studies | Crystal structure | NUCLEASE ACTIVITY | DNA-BINDING | CRYSTAL-STRUCTURES | CU(II) COMPLEXES | PROTEIN-BINDING | CRYSTALLOGRAPHY | NI(II) COMPLEXES | CHEMISTRY, INORGANIC & NUCLEAR | COPPER(II) COMPLEXES | ANTICANCER ACTIVITY | ETHIDIUM-BROMIDE | BOVINE SERUM-ALBUMIN | Nickel
Journal Article
CrystEngComm, ISSN 1466-8033, 2018, Volume 20, Issue 9, pp. 1205 - 1219
Journal Article
Polyhedron, ISSN 0277-5387, 04/2019, Volume 162, pp. 285 - 292
Two tetranuclear Schiff base coordinated copper(II) complexes have been synthesized and structurally characterized. The catecholase-like activity and the... 
Catecholase activity | Tetranuclear copper(II) | Serum albumin binding | CT-DNA binding | Crystal structure | SINGLE | SERIES | CU(II) COMPLEXES | CRYSTALLOGRAPHY | INSIGHT | CHEMISTRY, INORGANIC & NUCLEAR | MAGNETIC CHARACTERIZATION | OXIDASE | LIGAND | CLUSTER | METAL-COMPLEXES | WATER | Oxidases | Schiff bases | Diffraction | Analysis | X-rays | Crystals | Copper compounds | Albumin | Structure
Journal Article