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Assessing the quality of macromolecular structures
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, ch. 21.2, pp. 662-676 [ doi:10.1107/97809553602060000880 ]
... factor) value, which measures how normal or unusual a residue's location is in the plot for a given residue type. ... are used to score the structure (for a review, see Wodak & Rooman, 1993). The potentials that consider residue-residue interactions ... of the dividing plane P between two atoms i and j, with van der Waals radii and , respectively, separated by ...

Atomic resolution structures
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.4, p. 673 [ doi:10.1107/97809553602060000880 ]
... plot, tighter clustering of the atomic volumes and smaller s.u.'s in the distributions of the , dihedral angles. In contrast, the ... checkers? Four validation tools applied to eight atomic resolution structures. J. Mol. Biol. 276, 417-436. Deacon, A., Gleichmann, T., Kalb (Gilboa), A. J., Price, H., Raftery, J., Bradbrook, G., Yariv, J. & Helliwell, ...

Assessing the quality in specific regions of a model
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.3.1.3.2, pp. 670-673 [ doi:10.1107/97809553602060000880 ]
... indicator such as this one, and ultimately the atomic s.u.'s themselves, should be better suited for analysing and comparing the ...
     [more results from section 21.2.3 in volume F]

Deviations from standard atomic volumes as a quality measure for protein crystal structures
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.2.2.3, pp. 664-665 [ doi:10.1107/97809553602060000880 ]
... of the dividing plane P between two atoms i and j, with van der Waals radii and , respectively, separated by a ... CAD): a robust measure to evaluate accuracy of protein models. J. Mol. Biol. 268, 678-685. Alard, P. (1991). Calcul ... macromolécules. PhD thesis dissertation, Université Libre de Bruxelles, Belgium. Finney, J. L. (1975). Volume occupation, environment and accessibility in ...
     [more results from section 21.2.2 in volume F]

Introduction
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.1, p. 662 [ doi:10.1107/97809553602060000880 ]
... the data. References Laskowski, R. A., MacArthur, M. W. & Thornton, J. M. (1998). Validation of protein models derived from experiment. ... 8, 631-639. MacArthur, M. W., Laskowski, R. A. & Thornton, J. M. (1994). Knowledge-based validation of protein-structure coordinates ...

Concluding remarks
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.5, p. 673 [ doi:10.1107/97809553602060000880 ]
... transform algorithm. Acta Cryst. A34, 791-809. Cruickshank, D. W. J. (1949). The accuracy of electron-density maps in X ... to dibenzyl. Acta Cryst. 2, 65-82. Cruickshank, D. W. J. (1996). Protein precision re-examined: Luzzati plots do not ... Macromolecular Refinement, edited by E. Dodson, M. Moore, A. Ralph & S. Bailey, pp. 11-22. Warrington: Daresbury Laboratory. Das, U., ...

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