Concepedia

Atomic Coordinate Refinement

Atomic Coordinate Refinement is a computational optimization procedure in macromolecular structure determination that iteratively adjusts the three-dimensional positions of atoms in a model to minimize the discrepancy between observed diffraction data and those calculated from the model while maintaining stereochemical合理性.

172

Publications

13.2K

Citations

433

Authors

132

Institutions

Publications per year

2017–2026

7

Parents

Publications

172

Testing aspherical atom refinements on small-molecule data sets

N. K. Hansen, P. Coppens · Acta Crystallographica Section A · 1978 · 1.6K citations

, , +17

<i>SFCHECK</i>: a unified set of procedures for evaluating the quality of macromolecular structure-factor data and their agreement with the atomic model

Alexei A. Vaguine, Jean Richelle, Shoshana J. Wodak · Acta Crystallographica Section D Biological Crystallography · 1999 · 902 citations

, , +17

Refinement of severely incomplete structures with maximum likelihood in<i>BUSTER–TNT</i>

Eric Blanc, Pietro Roversi, Clemens Vonrhein et al. · Acta Crystallographica Section D Biological Crystallography · 2004 · 722 citations · Full text

, , +16

Automatic generation of 3D-atomic coordinates for organic molecules

Johann Gasteiger, Christine Rudolph, Jens Sadowski · Tetrahedron Computer Methodology · 1990 · 517 citations

, , +15

Crystallographic refinement and atomic models of two different forms of citrate synthase at 2·7 and 1·7 Å resolution

S. James Remington, Georg Wiegand, Robert Huber · Journal of Molecular Biology · 1982 · 496 citations

, , +15

1–5 of 172

Authors

433

  1. JB
    J. Brünvoll

    Norwegian University of Science and Technology, Norway

    3 publications · 91 citations

    3

    h-index

  2. RJ
    Randy J. Read

    University of Cambridge, United Kingdom

    3 publications · 532 citations

    3

    h-index

  3. GA
    G. A. Jeffrey

    University of Pittsburgh, United States

    3 publications · 85 citations

    3

    h-index

  4. PD
    Paul D. Adams

    Lawrence Berkeley National Laboratory, United States

    3 publications · 149 citations

    3

    h-index

  5. BD
    Birger Dittrich

    University of Göttingen, Germany

    3 publications · 282 citations

    3

    h-index

1–5 of 433

Institutions

132

  1. Centre National de la Recherche Scientifique

    Paris, France

    4 h-index

    6 publications

    216 citations

  2. Los Alamos National Laboratory

    Los Alamos, United States

    3 h-index

    4 publications

    347 citations

  3. Lawrence Berkeley National Laboratory

    Berkeley, United States

    3 h-index

    6 publications

    317 citations

  4. University of Göttingen

    Göttingen, Germany

    3 h-index

    15 publications

    695 citations

  5. University of Oslo

    Oslo, Norway

    2 h-index

    4 publications

    257 citations

  6. Indian Institute of Science Bangalore

    Bengaluru, India

    2 h-index

    9 publications

    726 citations

  7. The University of Western Australia

    Perth, Australia

    2 h-index

    5 publications

    155 citations

  8. University of Oxford

    Oxford, United Kingdom

    2 h-index

    7 publications

    1.5K citations

1–8 of 132

Venues

  1. Acta Crystallographica

    25 publications · 1.1K citations

    19

    h-index

  2. Acta Crystallographica Section B

    16 publications · 644 citations

    13

    h-index

  3. 8

    h-index

  4. Journal of Applied Crystallography

    8 publications · 676 citations

    8

    h-index

  5. Acta Crystallographica Section A

    7 publications · 2.6K citations

    7

    h-index

1–5