Validation and extraction of molecular-geometry information from small-molecule databases

Keep it together: restraints in crystallographic refinement of macromolecule–ligand complexes

(2017) Roberto A. Steiner 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

Geometry of guanidinium groups in arginines

(2016) Maura Malinska et al.   PROTEIN SCIENCE

The Cambridge Structural Database

(2016) Colin R. Groom et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

PDBe: improved accessibility of macromolecular structure data from PDB and EMDB

(2015) Sameer Velankar et al.   NUCLEIC ACIDS RESEARCH

Protein–Ligand Cocrystal Structures: We Can Do Better

(2014) Charles H. Reynolds   ACS Medicinal Chemistry Letters

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

Visualizing ligand molecules in twilight electron density

(2013) Christian X. Weichenberger et al.   Acta Crystallographica Section F-Structural Biology and Crystallization Communications

PDB_REDO: constructive validation, more than just looking for errors

(2012) Robbie P. Joosten 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

Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration

(2011) Saulius Gražulis et al.   NUCLEIC ACIDS RESEARCH

Bond lengths in organic and metal-organic compounds revisited: X—H bond lengths from neutron diffraction data

(2010) Frank H. Allen et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Features and development ofCoot

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

electronic Ligand Builder and Optimization Workbench(eLBOW): a tool for ligand coordinate and restraint generation

(2009) Nigel W. Moriarty et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Structure validation in chemical crystallography

(2009) Anthony L. Spek   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Recent Developments in the Methods and Applications of the Bond Valence Model

(2009) Ian David Brown   CHEMICAL REVIEWS

Crystallography Open Database – an open-access collection of crystal structures

(2009) Saulius Gražulis et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Molecular Single-Bond Covalent Radii for Elements 1-118

(2008) Pekka Pyykkö et al.   CHEMISTRY-A EUROPEAN JOURNAL

Covalent radii revisited

(2008) Beatriz Cordero et al.   DALTON TRANSACTIONS