A molecular dynamics study of pig heart citrate synthase is presented that aims to directly address the question of whether, for this enzyme, the ligand-induced closed domain conformation is accessible to the open unliganded enzyme. The approach utilises the technique of essential dynamics sampling, which is used in two modes. In exploring mode, the enzyme is encouraged to explore domain confor...

A prerequisite for understanding the detailed mechanism of the intricate process of protein biosynthesis is the determination of the molecular structure of ribosomes. This may be obtained by crystallographic analysis. Although such studies, in general, provide static pictures, they do indicate how to design subsequent functional and dynamic experiments. Thus, investigating models obtained by th...

The 1.25 Å resolution H32:R crystal structure of a 20 nt ribonucleotide that binds to the TREX-2 complex with high affinity shows a double-stranded RNA duplex arranged along a crystallographic 31 axis in which the antiparallel chains overlap by 18 nucleotides and are related by a crystallographic twofold axis. The duplex shows C-A, U-U and C-C noncanonical base pairings together with canonical ...

AISI 316 stainless steels were coated with 250 nm Ni film by electron beam deposition and post-annealed at different temperatures with a nitrogen flow of 600 cm3min-1 nitrogen. The prepared samples were corrosion tested in 1.0 M sulphuric acid solution using potentiodynamic technique. Crystallographic and morphological structure of the samples were analyzedanalysed by X-ray diffraction (XRD) an...

Ion implantation is a surface modification technology to produce new material on the surface by impingement of high energy ions from the ion accelerator. In this work, AISI 304 stainless steels were coated with 90 nm Ni film by electron beam deposition and implanted by a flow of 5×1017 N cm−2 at 400 K temperature with different implantation energies of 10, 20, 30 and 40 keV. The prepared sample...

Acta Crystallographica Section D: Biological Crystallography welcomes the submission of papers covering any aspect of structural biology, with a particular emphasis on the structures of biological macromolecules and the methods used to determine them. Reports on new protein structures are particularly encouraged, as are structure–function papers that could include crystallographic binding studi...