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Dorothee Liebschner
Dorothee Liebschner
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Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix
D Liebschner, PV Afonine, ML Baker, G Bunkóczi, VB Chen, TI Croll, ...
Acta Crystallographica Section D: Structural Biology 75 (10), 861-877, 2019
48912019
Polder maps: improving OMIT maps by excluding bulk solvent
D Liebschner, PV Afonine, NW Moriarty, BK Poon, OV Sobolev, ...
Acta Crystallographica Section D: Structural Biology 73 (2), 148-157, 2017
6202017
Structure of photosystem II and substrate binding at room temperature
ID Young, M Ibrahim, R Chatterjee, S Gul, FD Fuller, S Koroidov, ...
Nature 540 (7633), 453-457, 2016
3952016
An improved experimental databank of transferable multipolar atom models–ELMAM2. Construction details and applications
S Domagała, B Fournier, D Liebschner, B Guillot, C Jelsch
Acta Crystallographica Section A: Foundations of Crystallography 68 (3), 337-351, 2012
1602012
AlphaFold predictions are valuable hypotheses and accelerate but do not replace experimental structure determination
TC Terwilliger, D Liebschner, TI Croll, CJ Williams, AJ McCoy, BK Poon, ...
Nature Methods 21 (1), 110-116, 2024
125*2024
On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin
D Liebschner, M Dauter, A Brzuszkiewicz, Z Dauter
Acta Crystallographica Section D: Biological Crystallography 69 (8), 1447-1462, 2013
782013
Announcing mandatory submission of PDBx/mmCIF format files for crystallographic depositions to the Protein Data Bank (PDB)
PD Adams, PV Afonine, K Baskaran, HM Berman, J Berrisford, G Bricogne, ...
Acta Crystallographica Section D: Structural Biology 75 (4), 451-454, 2019
652019
Elucidation of the phosphate binding mode of DING proteins revealed by subangstrom X-ray crystallography
D Liebschner, M Elias, S Moniot, B Fournier, K Scott, C Jelsch, B Guillot, ...
Journal of the American Chemical Society 131 (22), 7879-7886, 2009
652009
On the influence of crystal size and wavelength on native SAD phasing
D Liebschner, Y Yamada, N Matsugaki, M Senda, T Senda
Acta Crystallographica Section D: Structural Biology 72 (6), 728-741, 2016
402016
Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase
M Elias, D Liebschner, J Koepke, C Lecomte, B Guillot, C Jelsch, ...
BMC research notes 6, 1-7, 2013
362013
Accelerating crystal structure determination with iterative AlphaFold prediction
TC Terwilliger, PV Afonine, D Liebschner, TI Croll, AJ McCoy, RD Oeffner, ...
Acta Crystallographica Section D: Structural Biology 79 (3), 234-244, 2023
322023
Topological analysis of hydrogen bonds and weak interactions in protein helices via transferred experimental charge density parameters
D Liebschner, C Jelsch, E Espinosa, C Lecomte, E Chabriere, B Guillot
The Journal of Physical Chemistry A 115 (45), 12895-12904, 2011
292011
Radiation decay of thaumatin crystals at three X-ray energies
D Liebschner, G Rosenbaum, M Dauter, Z Dauter
Acta Crystallographica Section D: Biological Crystallography 71 (4), 772-778, 2015
262015
The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors
M Sato, D Liebschner, Y Yamada, N Matsugaki, T Arakawa, SS Wills, ...
Journal of Biological Chemistry 292 (29), 12126-12138, 2017
252017
Evaluation of models determined by neutron diffraction and proposed improvements to their validation and deposition
D Liebschner, PV Afonine, NW Moriarty, P Langan, PD Adams
Acta Crystallographica Section D: Structural Biology 74 (8), 800-813, 2018
222018
CERES: a cryo-EM re-refinement system for continuous improvement of deposited models
D Liebschner, PV Afonine, NW Moriarty, BK Poon, VB Chen, PD Adams
Biological Crystallography 77 (1), 48-61, 2021
162021
Interactive comparison and remediation of collections of macromolecular structures
NW Moriarty, D Liebschner, HE Klei, N Echols, PV Afonine, JJ Headd, ...
Protein Science 27 (1), 182-194, 2018
162018
Crystallographic analysis of murine p24γ2 Golgi dynamics domain
M Nagae, D Liebschner, Y Yamada, K Morita‐Matsumoto, N Matsugaki, ...
Proteins: Structure, Function, and Bioinformatics 85 (4), 764-770, 2017
122017
Implementation of the riding hydrogen model in CCTBX to support the next generation of X-ray and neutron joint refinement in Phenix
D Liebschner, PV Afonine, AG Urzhumtsev, PD Adams
Methods in enzymology 634, 177-199, 2020
112020
In situ ligand restraints from quantum-mechanical methods
D Liebschner, NW Moriarty, BK Poon, PD Adams
Acta Crystallographica Section D: Structural Biology 79 (2), 100-110, 2023
92023
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