X-PLOR is a highly sophisticated computer program that provides an interface between
theoretical foundations and experimental data in structural biology, with specific emphasis on X-…

and trimethylamine dehydrogenase". Page 1 LETTERS TO NATURE and trimethylamine
dehydrogenase". Our results show that structural diversity prevails within the NADP-dependent …

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

Analogies between the free R statistic [Brünger (1992). Nature (London), 355, 472–474]
and the statistical methods of cross validation and bootstrap are discussed. Several new …

Molecular dynamics was used to refine macromolecular structures by incorporating the
difference between the observed crystallographic structure factor amplitude and that calculated …

This report presents the conclusions of the X-ray Validation Task Force of the worldwide
Protein Data Bank (PDB). The PDB has expanded massively since current criteria for validation …

In 1990, Brändén and Jones [1] suggested that the process of electron-density map interpretation
involves a degree of subjectivity on the part of the crystallographer. In the worst case, …

SNAP-25, syntaxin, and synaptobrevin play a key role in the regulated exocytosis of
synaptic vesicles, but their mechanism of action is not understood. In vitro, the proteins …

Reduction of model bias in macromolecular crystallography through various omit-map
techniques has been investigated. The two cases studied were the p21 protein complexed with …

An automated method, based on the principle of simulated annealing, is presented for
determining the three-dimensional structures of proteins on the basis of short (<5 Å) interproton …