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The relevance of the Cambridge Structural Database in protein crystallography
Allen, F. H., Cole, J. C. and Verdonk, M. L.  International Tables for Crystallography (2012). Vol. F, ch. 22.5, pp. 736-748 [ doi:10.1107/97809553602060000889 ]
... for selected metal-containing structures CSD entries (R < 0.10) containing M and (N or O). No additional transition metals were ... of the global minimum-energy conformation in vacuo, although Boström et al. (1998) have shown that these conformational energies are ... PDB and CSD density maps has recently been performed by Verdonk (1998). He calculated residual densities, obtained by subtracting ...

Modelling applications that use CSD data
Allen, F. H., Cole, J. C. and Verdonk, M. L.  International Tables for Crystallography (2012). Vol. F, Section 22.5.5.10, p. 745 [ doi:10.1107/97809553602060000889 ]
... modes of ligands. CCDC is developing a program called SuperStar (Verdonk et al., 1999) which uses a similar approach to that ... Chem. Res. 27, 117-122. Laskowski, R. A., Thornton, J. M., Humblet, C. & Singh, J. (1996). X-SITE: use of ... molecules. J. Comput.-Aided Mol. Des. 11, 357-368. Rarey, M., Kramer, B., Lengauer, T. & Klebe, G. (1996). Predicting ...
     [more results from section 22.5.5 in volume F]

Metal coordination geometry
Allen, F. H., Cole, J. C. and Verdonk, M. L.  International Tables for Crystallography (2012). Vol. F, Section 22.5.4.5, p. 740 [ doi:10.1107/97809553602060000889 ]
... over the past two decades. References Carrell, A. B., Shimoni, L., Carrell, C. J., Bock, C. W., Murray-Rust, P. & Glusker ... ions. Receptor, 3, 57-76. Carrell, C. J., Carrell, H. L., Erlebacher, J. & Glusker, J. P. (1988). Structural aspects of ... Acc. Chem. Res. 13, 345-352. Glusker, J. P., Lewis, M. & Rossi, M. (1994). Crystal Structure Analysis for Chemists ...
     [more results from section 22.5.4 in volume F]

Geometrical parameters of relevance to protein studies
Allen, F. H., Cole, J. C. and Verdonk, M. L.  International Tables for Crystallography (2012). Vol. F, Section 22.5.3.3, pp. 737-738 [ doi:10.1107/97809553602060000889 ]
... Organic Solids. New York: Academic Press. Glusker, J. P., Lewis, M. & Rossi, M. (1994). Crystal Structure Analysis for Chemists and Biologists. Weinheim ...
     [more results from section 22.5.3 in volume F]

Structure validation
Allen, F. H., Cole, J. C. and Verdonk, M. L.  International Tables for Crystallography (2012). Vol. F, Section 22.5.2.4, p. 737 [ doi:10.1107/97809553602060000889 ]
... protein structures. Nature (London), 381, 272. Laskowski, R. A., MacArthur, M. W., Moss, D. S. & Thornton, J. M. (1993). PROCHECK: a program to check the stereochemical quality ...
     [more results from section 22.5.2 in volume F]

Introduction
Allen, F. H., Cole, J. C. and Verdonk, M. L.  International Tables for Crystallography (2012). Vol. F, Section 22.5.1, p. 736 [ doi:10.1107/97809553602060000889 ]
... J., Johnson, O., Kennard, O., Macrae, C. F., Mitchell, E. M., Mitchell, G. F., Smith, J. M. & Watson, D. G. (1991). The development of versions 3 ... beta]-1'-aminofuranoside fragment. Acta Cryst. B34, 2534-2546. Pauling, L. (1939). The Nature of the Chemical Bond. Ithaca: ...

Conclusion
Allen, F. H., Cole, J. C. and Verdonk, M. L.  International Tables for Crystallography (2012). Vol. F, Section 22.5.6, p. 745 [ doi:10.1107/97809553602060000889 ]
... 774. Bruno, I. J., Cole, J. C., Lommerse, J. P. M., Rowland, R. S., Taylor, R. & Verdonk, M. L. (1997). IsoStar: a library of information about ...

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