Charge-density analysis of an iron–sulfur protein at an ultra-high resolution of 0.48 Å

Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis

(2015) Bartosz Zarychta et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Iron-sulfur bond covalency from electronic structure calculations for classical iron-sulfur clusters

(2014) Travis V. Harris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structure of the LH1–RC complex from Thermochromatium tepidum at 3.0 Å

(2014) Satomi Niwa et al.   NATURE

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

(2013) Alexander Wlodawer et al.   FEBS Journal

Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives

(2012) Tibor András Rokob et al.   DALTON TRANSACTIONS

Accurate and efficient algorithm for Bader charge integration

(2011) Min Yu et al.   JOURNAL OF CHEMICAL PHYSICS

Peptide Bond Distortions from Planarity: New Insights from Quantum Mechanical Calculations and Peptide/Protein Crystal Structures

(2011) Roberto Improta et al.   PLoS One

Nonplanar peptide bonds in proteins are common and conserved but not biased toward active sites

(2011) D. S. Berkholz et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Electron Delocalization and Charge Transfer in Polypeptide Chains

(2009) Ye-Fei Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Detailed assessment of X-ray induced structural perturbation in a crystalline state protein

(2009) Kazuki Takeda et al.   JOURNAL OF STRUCTURAL BIOLOGY

The ID23-2 structural biology microfocus beamline at the ESRF

(2009) David Flot et al.   JOURNAL OF SYNCHROTRON RADIATION

Absorbed dose calculations for macromolecular crystals: improvements to RADDOSE

(2009) Karthik S. Paithankar et al.   JOURNAL OF SYNCHROTRON RADIATION

Insight into Environmental Effects on Bonding and Redox Properties of [4Fe-4S] Clusters in Proteins

(2009) Shuqiang Niu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Charge Density and Electrostatic Interactions of Fidarestat, an Inhibitor of Human Aldose Reductase

(2009) Bertrand Fournier et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case

(2008) Benoît Guillot et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY