PDB_REDO: automated re-refinement of X-ray structure models in the PDB

Autor: G. Fettahi, Andreas Gisel, K. Mattila, Roberto Fabbretti, Volker Flegel, C. Blanchet, T. Kervinen, Marco Pagni, A.-C. Berglund, Ian J. Tickle, Gert Vriend, Heinz Stockinger, A.L. Da Costa, M. Diarena, Christophe Combet, Eija Korpelainen, V. Bloch, Erik Bongcam-Rudloff, Vincent Breton, Jean Salzemann, Matthieu Reichstadt, Gilbert Deléage, Vinod Kasam, Robbie P. Joosten

Publikováno v: Journal of Applied Crystallography
Journal of Applied Crystallography, International Union of Crystallography, 2009, 42, pp.376-384. ⟨10.1107/S0021889809008784⟩
Journal of Applied Crystallography (International Union of Crystallography-Iucr), 42, 376-385
Journal of applied crystallography (Online) 42 (2009): 376–384. doi:10.1107/S0021889809008784
info:cnr-pdr/source/autori:Gisel, Andreas (6); Stockinger, Heinz (3); Breton, Vincent (2); Mattila, Kimmo (8); Bongcam-Rudloff, Erik (4); Pagni, Marco (3); Joosten, Robbie P. (1); Vriend, Gert (10); Salzemann, Jean (2); Bloch, Vincent (2); Da Costa, Ana L. (2); Diarena, Matteo (2); Fettahi, Géraldine (2); Reichstadt, Matthieu (2); Fabbretti, Roberto (3); Flegel, Volker (3); Berglund, Ann Charlott (4); Blanchet, Christophe (5); Combet, Christophe (5); Deleage, Gilbert (5); Kasam, Vinod (7); Kervinen, Timo (8); Korpelainen, Eija (8); Tickle, Ian J. (9)/titolo:PDB-REDO: Automated re-refinement of X-ray structure models in the PDB/doi:10.1107%2FS0021889809008784/rivista:Journal of applied crystallography (Online)/anno:2009/pagina_da:376/pagina_a:384/intervallo_pagine:376–384/volume:42
Journal of Applied Crystallography (International Union of Crystallography-Iucr), 42, 3, pp. 376-385
Journal of Applied Crystallography, 2009, 42, pp.376-384. ⟨10.1107/S0021889809008784⟩

The majority of previously deposited X-ray structures can be improved by applying current refinement methods.
Structural biology, homology modelling and rational drug design require accurate three-dimensional macromolecular coordinates. However,

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