Computing stoichiometric molecular composition from crystal structures

Preparation of a “twisted basket” Mn4N8 cluster: a two-hydrogen-atom reduced analogue of the Mn4N8 pinned butterfly

(2014) Michael R. Gau et al.   CHEMICAL COMMUNICATIONS

DrugBank 4.0: shedding new light on drug metabolism

(2013) Vivian Law et al.   NUCLEIC ACIDS RESEARCH

The Protein Data Bank at 40: Reflecting on the Past to Prepare for the Future

(2012) Helen M. Berman et al.   STRUCTURE

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Dimethyl(4-methylphenyl)ammonium naphthalene-1,5-disulfonate dihydrate

(2011) Bin Wei   ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE

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

Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides

(2011) Sachitanand M. Mali et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Jmol– a paradigm shift in crystallographic visualization

(2010) Robert M. Hanson   JOURNAL OF APPLIED CRYSTALLOGRAPHY

ChemSpider: An Online Chemical Information Resource

(2010) Harry E. Pence et al.   JOURNAL OF CHEMICAL EDUCATION

Molecular Double-Bond Covalent Radii for Elements Li–E112

(2009) Pekka Pyykkö et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

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

Covalent radii revisited

(2008) Beatriz Cordero et al.   DALTON TRANSACTIONS