TheXChemExplorergraphical workflow tool for routine or large-scale protein–ligand structure determination

Proper modelling of ligand binding requires an ensemble of bound and unbound states

(2017) Nicholas M. Pearce et al.   Acta Crystallographica Section D-Structural Biology

AceDRG: a stereochemical description generator for ligands

(2017) Fei Long et al.   Acta Crystallographica Section D-Structural Biology

High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits

(2016) Johannes Schiebel et al.   STRUCTURE

Structural basis of metallo-β-lactamase, serine-β-lactamase and penicillin-binding protein inhibition by cyclic boronates

(2016) Jürgen Brem et al.   Nature Communications

Fitmunk: improving protein structures by accurate, automatic modeling of side-chain conformations

(2016) Przemyslaw Jerzy Porebski et al.   Acta Crystallographica Section D-Structural Biology

RoboDiff: combining a sample changer and goniometer for highly automated macromolecular crystallography experiments

(2016) Didier Nurizzo et al.   Acta Crystallographica Section D-Structural Biology

XDSAPP2.0

(2016) Karine M. Sparta et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Techniques, tools and best practices for ligand electron-density analysis and results from their application to deposited crystal structures

(2013) Edwin Pozharski et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

How good are my data and what is the resolution?

(2013) Philip R. Evans et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening

(2013) Joseph D. Bauman et al.   JOURNAL OF MEDICINAL CHEMISTRY

Automating crystallographic structure solution and refinement of protein–ligand complexes

(2013) Nathaniel Echols et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Handling ligands withCoot

(2012) Judit É. Debreczeni et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Statistical quality indicators for electron-density maps

(2012) Ian J. Tickle   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PDB_REDO: constructive validation, more than just looking for errors

(2012) Robbie P. Joosten et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Comparative Structural and Functional Studies of 4-(Thiazol-5-yl)-2-(phenylamino)pyrimidine-5-carbonitrile CDK9 Inhibitors Suggest the Basis for Isotype Selectivity

(2012) Alison J. Hole et al.   JOURNAL OF MEDICINAL CHEMISTRY

Rapid-access, high-throughput synchrotron crystallography for drug discovery

(2012) Stephen R. Wasserman et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Data processing and analysis with theautoPROCtoolbox

(2011) Clemens Vonrhein et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

REFMAC5 for the refinement of macromolecular crystal structures

(2011) Garib N. Murshudov et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Overview of theCCP4 suite and current developments

(2011) Martyn D. Winn et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Automated data collection for macromolecular crystallography

(2011) Graeme Winter et al.   METHODS

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Decision-making in structure solution using Bayesian estimates of map quality: thePHENIX AutoSolwizard

(2009) Thomas C. Terwilliger et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

xia2: an expert system for macromolecular crystallography data reduction

(2009) G. Winter   JOURNAL OF APPLIED CRYSTALLOGRAPHY