Verification of structural and electrostatic properties obtained by the use of different pseudoatom databases

Validation of experimental charge densities: refinement of the macrolide antibiotic roxithromycin

(2010) J. J. Holstein et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

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

Experimental and Theoretical Charge Density Analysis of Polymorphic Structures: The Case of Coumarin 314 Dye

(2010) Parthapratim Munshi et al.   CRYSTAL GROWTH & DESIGN

Revised electrostatics from invariom refinement of the 18-residue peptaibol antibiotic trichotoxin A50E

(2010) Birger Dittrich et al.   CRYSTENGCOMM

Structural Variability and the Nature of Intermolecular Interactions in Watson−Crick B-DNA Base Pairs

(2010) Ż. Czyżnikowska et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Experimental charge-density study of paracetamol – multipole refinement in the presence of a disordered methyl group

(2009) Joanna M. Bąk et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Towards the best model for H atoms in experimental charge-density refinement

(2009) Anna A. Hoser et al.   ACTA CRYSTALLOGRAPHICA SECTION A

How to easily replace the independent atom model – the example of bergenin, a potential anti-HIV agent of traditional Asian medicine

(2009) Birger Dittrich et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Charge-density study on cyclosporine A

(2009) S. K. J. Johnas et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme–substrate complex: influenza neuraminidase inhibition

(2009) Paulina M. Dominiak et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Towards extracting the charge density from normal-resolution data

(2009) B. Dittrich et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

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

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

Elucidation of the Phosphate Binding Mode of DING Proteins Revealed by Subangstrom X-ray Crystallography

(2009) Dorothee Liebschner et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation

(2009) Birger Dittrich et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Improvement of anisotropic displacement parameters from invariom-model refinements for threeL-hydroxylysine structures

(2008) B. Dittrich et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

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

Optimal local axes and symmetry assignment for charge-density refinement

(2008) Sławomir Domagała et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Physicochemical Properties of Zwitterionicl- anddl-Alanine Crystals from Their Experimental and Theoretical Charge Densities

(2008) Riccardo Destro et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds

(2008) Simon Grabowsky et al.   ORGANIC & BIOMOLECULAR CHEMISTRY