Citations
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Templated synthesis of a large and flexible covalent porphyrinic cage bearing orthogonal recognition sites.
TL;DR: A large covalent cage incorporating two porphyrins attached by four long and flexible polyether chains each bearing two 3-pyridyl ligands was synthesized from a DABCO-templated olefin metathesis reaction revealing a highly symmetric structure.
Journal ArticleDOI
An Introduction to the BFS Method and Its Use to Model Binary NiAl Alloys
TL;DR: In this article, the Bozzolo-Ferrante-Smith (BFS) method for alloys is introduced as a computationally efficient tool for aiding in the process of alloy design.
Journal Article
Recent advances in vacuum sciences and applications
Miran Mozetic,Kostya Ostrikov,David N. Ruzic,Davide Curreli,U. Cvelbar,Alenka Vesel,Gregor Primc,M. Leisch,Karl Jousten,Oleg B. Malyshev,Jay H. Hendricks,L. Kövér,A. Tagliaferro,O. Conde,António Jorge Silvestre,John Giapintzakis,Maja Buljan,Nikola Radić,Goran Dražić,Sigrid Bernstorff,Hynek Biederman,Ondřej Kylián,Jan Hanuš,Slobodan Milošević,Anouk Galtayries,Paul Dietrich,Wolfgang E. S. Unger,Marian Lehocky,Vladimir Sedlarik,Karin Stana-Kleinschek,A. Drmota-Petrič,Jean-Jacques Pireaux,J. W. Rogers,M. Anderle +33 more
TL;DR: Recent advances in vacuum sciences and applications are reviewed in this article, where optical interferometer cavity devices enable pressure measurements with ppm accuracy, and the innovative dynamic vacuum standard allows for pressure measurement with temporal resolution of 2 ms, while the combination of various vacuum and atmospheric pressure techniques enables an insight into the complex phenomena of protein and other biomolecule conformations on solid surfaces.
Journal ArticleDOI
A simple, general route to 2-pyridylidene transition metal complexes.
TL;DR: IR spectra of the Ir(i) carbonyl compounds [IrCl(NHC)(CO)(2)] indicate that these N-heterocyclic carbene ligands are among the strongest σ-electron donors.
Journal Article
Structure of mycobacterium smegmatis single-stranded dna-binding protein and a comparative study involving homologus ssbs: biological implications of structural plasticity and variability in quaternary association
Kayarat Saikrishnan,G.P. Manjunath,Pawan Singh,Jeyaraman Jeyakanthan,Zbigniew Dauter,Kanagaraj Sekar,Kalappa Muniyappa,Mamannamana Vijayan +7 more
TL;DR: The structure of Mycobacterium smegmatis single-stranded DNA-binding protein (SSB) has been determined using three data sets collected from related crystals, indicating that the clamp arrangement that stabilizes the dimer and the ellipsoidal shape of the tetramer are characteristic features of mycobacterial SSBs.
References
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Journal ArticleDOI
The Protein Data Bank
Helen M. Berman,John D. Westbrook,Zukang Feng,Gary L. Gilliland,Talapady N. Bhat,Helge Weissig,Ilya N. Shindyalov,Philip E. Bourne +7 more
TL;DR: The goals of the PDB are described, the systems in place for data deposition and access, how to obtain further information and plans for the future development of the resource are described.
Journal ArticleDOI
Crystal structure refinement with SHELXL
TL;DR: New features added to the refinement program SHELXL since 2008 are described and explained.
Journal ArticleDOI
Coot: model-building tools for molecular graphics.
Paul Emsley,Kevin Cowtan +1 more
TL;DR: CCP4mg is a project that aims to provide a general-purpose tool for structural biologists, providing tools for X-ray structure solution, structure comparison and analysis, and publication-quality graphics.
Journal ArticleDOI
PHENIX: a comprehensive Python-based system for macromolecular structure solution
Paul D. Adams,Paul D. Adams,Pavel V. Afonine,Gábor Bunkóczi,Vincent B. Chen,Ian W. Davis,Nathaniel Echols,Jeffrey J. Headd,Li-Wei Hung,Gary J. Kapral,Ralf W. Grosse-Kunstleve,Airlie J. McCoy,Nigel W. Moriarty,Robert D. Oeffner,Randy J. Read,David S. Richardson,Jane S. Richardson,Thomas C. Terwilliger,Peter H. Zwart +18 more
TL;DR: The PHENIX software for macromolecular structure determination is described and its uses and benefits are described.
Journal ArticleDOI
Phaser crystallographic software
Airlie J. McCoy,Ralf W. Grosse-Kunstleve,Paul D. Adams,Martyn Winn,Laurent C. Storoni,Randy J. Read +5 more
TL;DR: A description is given of Phaser-2.1: software for phasing macromolecular crystal structures by molecular replacement and single-wavelength anomalous dispersion phasing.