LAFIRE: software for automating the refinement process of protein-structure analysis

M Yao, Y Zhou, I Tanaka - Acta Crystallographica Section D …, 2006 - journals.iucr.org
Manual intervention is usually required in the multiple rounds of refinement of protein crystal
structures, including linking and/or extending the fragments of the initial model and …

Efficient rebuilding of protein structures

GJ Kleywegt, TA Jones - Acta Crystallographica Section D …, 1996 - journals.iucr.org
A computer program, called OOPS, is described which facilitates and speeds up the process
of rebuilding a protein structure inside its electron density and reduces the chances of local …

Simultaneous refinement of inaccurate local regions and overall structure in the CASP12 protein model refinement experiment

GR Lee, L Heo, C Seok - Proteins: Structure, Function, and …, 2018 - Wiley Online Library
Advances in protein model refinement techniques are required as diverse sources of protein
structure information are available from low‐resolution experiments or informatics‐based …

Protein crystallography for aspiring crystallographers or how to avoid pitfalls and traps in macromolecular structure determination

A Wlodawer, W Minor, Z Dauter… - The FEBS journal, 2013 - Wiley Online Library
The number of macromolecular structures deposited in the Protein Data Bank now
approaches 100 000, with the vast majority of them determined by crystallographic methods …

Use of non-crystallographic symmetry in protein structure refinement

GJ Kleywegt - Acta Crystallographica Section D: Biological …, 1996 - journals.iucr.org
Several methods to assess the (dis) similarity of protein structures objectively are described,
some of which, when applied to non-crystallographically related protein models, are able to …

[PDF][PDF] Fragon: rapid high-resolution structure determination from ideal protein fragments

HT Jenkins - Acta Crystallographica Section D: Structural Biology, 2018 - journals.iucr.org
Correctly positioning ideal protein fragments by molecular replacement presents an
attractive method for obtaining preliminary phases when no template structure for molecular …

EDPDB: a multifunctional tool for protein structure analysis

XJ Zhang, BW Matthews - Journal of applied crystallography, 1995 - journals.iucr.org
EDPDB is a Fortran program that simplifies the analysis of protein structure and makes it
easy to extract various types of geometrical and biologically relevant information for the …

Reliable quality-control methods for protein crystal structures

J Badger, J Hendle - Acta Crystallographica Section D: Biological …, 2002 - journals.iucr.org
The emergence of structure-determination initiatives that employ high-throughput protein
crystallography emphasizes the need to establish quality-control methods for screening the …

Protein crystallography for non‐crystallographers, or how to get the best (but not more) from published macromolecular structures

A Wlodawer, W Minor, Z Dauter… - The FEBS journal, 2008 - Wiley Online Library
The number of macromolecular structures deposited in the Protein Data Bank now exceeds
45 000, with the vast majority determined using crystallographic methods. Thousands of …

AutoDep: a web-based system for deposition and validation of macromolecular structural information

D Lin, NO Manning, J Jiang, EE Abola… - … Section D: Biological …, 2000 - journals.iucr.org
This paper describes the design and full implementation of a new concept in data deposition
and validation: AutoDep (copyright Brookhaven Science Associates LLC). AutoDep changes …