Macromolecular X-ray crystallography is routinely applied to understand biological processes
at a molecular level. However, significant time and effort are still required to solve and …

A new software suite, called Crystallography & NMR System (CNS), has been developed for
macromolecular structure determination by X-ray crystallography or solution nuclear …

Structural genomics seeks to expand rapidly the number of protein structures in order to
extract the maximum amount of information from genomic sequence databases. The advent of …

A density-modification procedure for improving maps from single-particle electron cryogenic
microscopy (cryo-EM) is presented. The theoretical basis of the method is identical to that of …

DeepMind presented notably accurate predictions at the recent 14th Critical Assessment of
Structure Prediction (CASP14) conference. We explored network architectures that …

Phaser is a program for phasing macromolecular crystal structures by both molecular
replacement and experimental phasing methods. The novel phasing algorithms implemented in …

phenix.refine is a program within the PHENIX package that supports crystallographic structure
refinement against experimental data with a wide range of upper resolution limits using a …

Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful
methods to determine three-dimensional macromolecular structures, which are required to …

This paper describes the current update on macromolecular model validation services that
are provided at the MolProbity website, emphasizing changes and additions since the …

This article describes the implementation of real-space refinement in the phenix.real_space_refine
program from the PHENIX suite. The use of a simplified refinement target function …