Ralf W. Grosse‐Kunstleve

Materials Science · Physical Sciences

44h-index89.6kcitations98works0.02yr avg
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Research Topics

Enzyme Structure and Function(51), Protein Structure and Dynamics(34), X-ray Diffraction in Crystallography(21), Machine Learning in Materials Science(10), Crystallography and molecular interactions(9)

Publications98 total

pybind/pybind11: Version 3.0.2
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Bulk-solvent and overall scaling revisited: faster calculations, improved results. Corrigendum.
Acta Crystallographica Section D Structural Biology·2023Open Access
Building Binary Extensions with pybind11, scikit-build, and cibuildwheel
2022· 1 citedOpen Access
<i>DiSCaMB</i>: a software library for aspherical atom model X-ray scattering factor calculations with CPUs and GPUs
Journal of Applied Crystallography·2017· 46 citedOpen Access
Erratum: Corrigendum: Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers
Nature Methods·2015· 1 citedOpen Access
Structure determination with weak anomalous signal
2015Open Access
Macromolecular X-ray structure determination using weak, single-wavelength anomalous data
Nature Methods·2014· 37 citedOpen Access
Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers
Nature Methods·2014· 157 citedOpen Access
New Python-based methods for data processing
Acta Crystallographica Section D Biological Crystallography·2013· 110 citedOpen Access
Bulk-solvent and overall scaling revisited: faster calculations, improved results
Acta Crystallographica Section D Biological Crystallography·2013· 100 citedOpen Access
Simultaneous Femtosecond X-ray Spectroscopy and Diffraction of Photosystem II at Room Temperature
Science·2013· 426 citedOpen Access
RT fs X-ray diffraction of Photosystem II, first illuminated state
2013
Energy-dispersive X-ray emission spectroscopy using an X-ray free-electron laser in a shot-by-shot mode
Proceedings of the National Academy of Sciences·2012· 134 citedOpen Access
Nanoflow electrospinning serial femtosecond crystallography
Acta Crystallographica Section D Biological Crystallography·2012· 189 citedOpen Access
Improved crystallographic models through iterated local density-guided model deformation and reciprocal-space refinement
Acta Crystallographica Section D Biological Crystallography·2012· 41 citedOpen Access
Room temperature femtosecond X-ray diffraction of photosystem II microcrystals
Proceedings of the National Academy of Sciences·2012· 165 citedOpen Access
Automatic Fortran to C++ conversion with FABLE
Source Code for Biology and Medicine·2012· 23 citedOpen Access
fs X-ray diffraction of Photosystem II
2012· 1 cited
Graphical tools for macromolecular crystallography in<i>PHENIX</i>
Journal of Applied Crystallography·2012· 170 citedOpen Access
Towards automated crystallographic structure refinement with <i>phenix.refine</i>
Acta Crystallographica Section D Biological Crystallography·2012· 5.6k citedOpen Access
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Frequent Co-authors

Paul D. Adams(39), Pavel V. Afonine(20), Nigel W. Moriarty(18), Randy J. Read(16), Thomas C. Terwilliger(15), Nathaniel Echols(12), Nicholas K. Sauter(12), Li‐Wei Hung(10), Airlie J. McCoy(10), Peter H. Zwart(10), Jeffrey J. Headd(6), Richard J. Gildea(6), Johan Hattne(6), G. Bunkóczi(5), Jane S. Richardson(5), Alexandre Urzhumtsev(5), Jan Kern(5), Roberto Alonso‐Mori(5), Rosalie Tran(5), Carina Glöckner(5)