Zobrazeno 1 - 10
of 472
pro vyhledávání: '"W. Grosse"'
Autor:
Pavel V. Afonine, Ralf W. Grosse-Kunstleve, Nigel W. Moriarty, Witold R. Rudnicki, Anna Makal, Paulina M. Dominiak, Szymon Migacz, Paul D. Adams, Michal Chodkiewicz, Jarosław A. Kalinowski
Publikováno v:
Journal of applied crystallography, vol 51, iss Pt 1
Chodkiewicz, ML; Migacz, S; Rudnicki, W; Makal, A; Kalinowski, JA; Moriarty, NW; et al.(2018). DiSCaMB: a software library for aspherical atom model X-ray scattering factor calculations with CPUs and GPUs:. Journal of Applied Crystallography, 51(1), 193-199. doi: 10.1107/S1600576717015825. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/7qp958sb
Chodkiewicz, ML; Migacz, S; Rudnicki, W; Makal, A; Kalinowski, JA; Moriarty, NW; et al.(2018). DiSCaMB: a software library for aspherical atom model X-ray scattering factor calculations with CPUs and GPUs:. Journal of Applied Crystallography, 51(1), 193-199. doi: 10.1107/S1600576717015825. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/7qp958sb
It has been recently established that the accuracy of structural parameters from X-ray refinement of crystal structures can be improved by using a bank of aspherical pseudoatoms instead of the classical spherical model of atomic form factors. This co
Autor:
Randy J. Read, Ralf W. Grosse-Kunstleve, James M. Holton, Paul D. Adams, Airlie J. McCoy, Nathaniel Echols, Thomas C. Terwilliger, Gábor Bunkóczi
Publikováno v:
Nature methods
Bunkóczi, Gábor; McCoy, Airlie J; Echols, Nathaniel; Grosse-Kunstleve, Ralf W; Adams, Paul D; Holton, James M; et al.(2015). Macromolecular X-ray structure determination using weak, single-wavelength anomalous data.. Nature methods, 12(2), 127-130. UC Office of the President: Multicampus Research Programs and Initiatives (MRPI); a funding opportunity through UC Research Initiatives (UCRI). Retrieved from: http://www.escholarship.org/uc/item/8h47k843
Bunkóczi, Gábor; McCoy, Airlie J; Echols, Nathaniel; Grosse-Kunstleve, Ralf W; Adams, Paul D; Holton, James M; et al.(2015). Macromolecular X-ray structure determination using weak, single-wavelength anomalous data.. Nature methods, 12(2), 127-130. UC Office of the President: Multicampus Research Programs and Initiatives (MRPI); a funding opportunity through UC Research Initiatives (UCRI). Retrieved from: http://www.escholarship.org/uc/item/8h47k843
We describe a likelihood-based method for determining the substructure of anomalously scattering atoms in macromolecular crystals that allows successful structure determination by single-wavelength anomalous diffraction (SAD) X-ray analysis with weak
Publikováno v:
Acta Crystallographica Section D: Biological Crystallography
The Computational Crystallography Toolbox (cctbx) is a flexible software platform that has been used to develop high-throughput crystal-screening tools for both synchrotron sources and X-ray free-electron lasers. Plans for data-processing and visuali
Publikováno v:
Acta Crystallographica Section D: Biological Crystallography
A fast analytical method for calculating mask-based bulk-solvent scale factors and overall anisotropic correction factors is introduced.
A fast and robust method for determining the parameters for a flat (mask-based) bulk-solvent model and overa
A fast and robust method for determining the parameters for a flat (mask-based) bulk-solvent model and overa
Autor:
Despina Milathianaki, Nathaniel Echols, Michael J. Bogan, Johan Hattne, Julia Hellmich, Athina Zouni, Petrus H. Zwart, Paul D. Adams, Roberto Alonso-Mori, Rosalie Tran, Garth J. Williams, Nicholas K. Sauter, M. Marvin Seibert, William E. White, Tsu-Chien Weng, Ralf W. Grosse-Kunstleve, Benedikt Lassalle-Kaiser, Vittal K. Yachandra, Junko Yano, Dimosthenis Sokaras, Sébastien Boutet, Richard J. Gildea, A. Miahnahri, Marc Messerschmidt, Donald W. Schafer, D. Starodub, Pieter Glatzel, Trevor A. McQueen, Hartawan Laksmono, Christina Y. Hampton, Jan Kern, Carina Glöckner, Uwe Bergmann, Alan Fry, Jonas A. Sellberg, N. Duane Loh, Johannes Messinger, Raymond G. Sierra
Publikováno v:
Acta Crystallographica Section D Biological Crystallography
An electrospun liquid microjet has been developed that delivers protein microcrystal suspensions at flow rates of 0.14–3.1 µl min−1to perform serial femtosecond crystallography (SFX) studies with X-ray lasers. Thermolysin microcrystals flowed at
Autor:
Thomas C. Terwilliger, Paul D. Adams, Li-Wei Hung, Ralf W. Grosse-Kunstleve, Pavel V. Afonine, Axel T. Brunger, Randy J. Read
Publikováno v:
Acta Crystallographica Section D: Biological Crystallography
A density-based procedure is described for improving a homology model that is locally accurate but differs globally. The model is deformed to match the map and refined, yielding an improved starting point for density modification and further model-bu
Autor:
Airlie J. McCoy, Vincent B. Chen, Randy J. Read, Gábor Bunkóczi, Pavel V. Afonine, Jeffrey J. Headd, David S. Richardson, Nathaniel Echols, Paul D. Adams, Nigel W. Moriarty, Thomas C. Terwilliger, Ralf W. Grosse-Kunstleve, Jane S. Richardson
Publikováno v:
Journal of Applied Crystallography
Journal of applied crystallography, vol 45, iss Pt 3
Echols, N; Grosse-Kunstleve, RW; Afonine, PV; Bunkóczi, G; Chen, VB; Headd, JJ; et al.(2012). Graphical tools for macromolecular crystallography in PHENIX. Journal of Applied Crystallography, 45(3), 581-586. doi: 10.1107/S0021889812017293. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/2t60j5xj
Journal of applied crystallography, vol 45, iss Pt 3
Echols, N; Grosse-Kunstleve, RW; Afonine, PV; Bunkóczi, G; Chen, VB; Headd, JJ; et al.(2012). Graphical tools for macromolecular crystallography in PHENIX. Journal of Applied Crystallography, 45(3), 581-586. doi: 10.1107/S0021889812017293. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/2t60j5xj
The foundations and current features of a widely used graphical user interface for macromolecular crystallography are described.
A new Python-based graphical user interface for the PHENIX suite of crystallography software is described. This inte
A new Python-based graphical user interface for the PHENIX suite of crystallography software is described. This inte
Autor:
Pavel V. Afonine, Paul D. Adams, David S. Richardson, Jane S. Richardson, Nathaniel Echols, Jeffrey J. Headd, Ralf W. Grosse-Kunstleve, Vincent B. Chen, Nigel W. Moriarty
Publikováno v:
Acta Crystallographica Section D: Biological Crystallography
Headd, JJ; Echols, N; Afonine, PV; Grosse-Kunstleve, RW; Chen, VB; Moriarty, NW; et al.(2012). Use of knowledge-based restraints in phenix.refine to improve macromolecular refinement at low resolution. Acta Crystallographica Section D: Biological Crystallography, 68(4), 381-390. doi: 10.1107/S0907444911047834. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/88p5c2p4
Acta crystallographica. Section D, Biological crystallography, vol 68, iss Pt 4
Headd, JJ; Echols, N; Afonine, PV; Grosse-Kunstleve, RW; Chen, VB; Moriarty, NW; et al.(2012). Use of knowledge-based restraints in phenix.refine to improve macromolecular refinement at low resolution. Acta Crystallographica Section D: Biological Crystallography, 68(4), 381-390. doi: 10.1107/S0907444911047834. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/88p5c2p4
Acta crystallographica. Section D, Biological crystallography, vol 68, iss Pt 4
Recent developments in PHENIX are reported that allow the use of reference-model torsion restraints, secondary-structure hydrogen-bond restraints and Ramachandran restraints for improved macromolecular refinement in phenix.refine at low resolution.
Autor:
Richard J. Gildea, Judith A. K. Howard, Oleg V. Dolomanov, Ralf W. Grosse-Kunstleve, Paul D. Adams, Luc J. Bourhis, Horst Puschmann
Publikováno v:
Journal of Applied Crystallography
iotbx.cif is a comprehensive toolbox for the development of applications that make use of the CIF format.
iotbx.cif is a new software module for the development of applications that make use of the CIF format. Comprehensive tools are provided fo
iotbx.cif is a new software module for the development of applications that make use of the CIF format. Comprehensive tools are provided fo