Citations
More filters
Journal ArticleDOI
Enhancement of the Superconducting Gap by Nesting in CaKFe4As4: A New High Temperature Superconductor
Daixiang Mou,Daixiang Mou,Tai Kong,Tai Kong,William R. Meier,William R. Meier,Felix Lochner,Lin-Lin Wang,Qisheng Lin,Yun Wu,Yun Wu,S.L. Bud'ko,S.L. Bud'ko,Ilya Eremin,Duane D. Johnson,Duane D. Johnson,Paul C. Canfield,Paul C. Canfield,Adam Kaminski,Adam Kaminski +19 more
TL;DR: These results provide strong support for the multiband character of superconductivity in CaKFe_{4}As_{4}, in which Cooper pairing forms on the electron and the hole bands interacting via a dominant interband repulsive interaction, enhanced by band nesting.
Journal ArticleDOI
Interactive electron-density map interpretation: from INTER to O
TL;DR: A short review of the author's computer-graphics developments since 1976 is presented and a description is provided of some of the more recent tools that can be used for electron-density map interpretation.
Journal ArticleDOI
Comparison of structural, thermodynamic, kinetic and mass transport properties of Mg2+ ion models commonly used in biomolecular simulations
TL;DR: Comparisons of 17 different nonbonded single‐site Mg2+ ion models with respect to their ability to simultaneously reproduce structural, thermodynamic, kinetic and mass transport properties in aqueous solution establish useful benchmark calculations that may aid in the development of next‐generation models that target specific binding sites in biomolecules.
Journal ArticleDOI
Loss of DNA Polymerase β Stacking Interactions with Templating Purines, but Not Pyrimidines, Alters Catalytic Efficiency and Fidelity *
TL;DR: The nature of the Lys-280 side-chain substitution for thymidine triphosphate insertion (templating adenine) indicates that Lys- 280 “stabilizes” templating purines through van der Waals interactions.
Journal ArticleDOI
X-ray analysis of residual stress gradients in TiN coatings by a Laplace space approach and cross-sectional nanodiffraction: a critical comparison.
Mario Stefenelli,Juraj Todt,A. Riedl,Werner Ecker,Thomas Müller,Rostislav Daniel,Manfred Burghammer,Jozef Keckes +7 more
TL;DR: A comparison of real and Laplace space techniques demonstrates the advantages of the nanodiffraction method, with a possibility to analyse local gradients of stress, texture, crystallite size and phase in thin films and coatings.
References
More filters
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.