Preview: Forthcoming article in Acta Crystallographica Section D: Biological Crystallography
Forthcoming article in Acta Crystallographica Section D Structural Biology
Acta Crystallographica Section D: Structural Biology welcomes the submission of articles covering any aspect of structural biology, with a particular emphasis on the structures of biological macromolecules and the methods used to determine them. Reports o
Ligand fitting with CCP4
The process of ligand fitting with CCP4 is reviewed, including identifying ligand density in the map, ligand fitting, refinement and subsequent validation. Recent developments are discussed, and are illustrated using instructive examples demonstrating practical application.
Q|R: quantum-based refinement
Quantum-based refinement software is being developed to refine biomacromolecules against crystallographic or cryo-electron microscopy data.
Strategies for carbohydrate model building, refinement and validation
This article addresses many of the typical difficulties that a structural biologist may face when dealing with carbohydrates, with an emphasis on problem solving in the resolution range where X-ray crystallography and cryo-electron microscopy are expected to overlap in the next decade.
An editor for the generation and customization of geometry restraints
Obtaining a restraint dictionary for novel ligands or improving restraints for known ligands can require their manual modification. This can be tedious and error-prone. REEL is a restraints editor that provides quick, easy and accurate development, allowing global changes and fine-tuning of individual restraints.
Twilight reloaded: the peptide experience
The potential causes of the severe misinterpretation of peptide density in a significant number of protein–peptide complex structures are analyzed, together with suggestions for good practice and specific education aimed at minimizing overinterpretation and mistakes in protein–peptide complex structure models.