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Molecular surfaces: calculations, uses and representations
Chapman, M. S. and Connolly, M. L.  International Tables for Crystallography (2012). Vol. F, ch. 22.2, pp. 713-720 [ doi:10.1107/97809553602060000886 ]
... protein structures by comparing the fraction of each amino acid's surface area that is occluded with that calculated for the ... 1992; Grant & Pickup, 1995) in treatments reminiscent of Ten Eyck's electron-density calculations (Ten Eyck, 1977). This speeds up ... ASPs for atom types C, N/O, O.., N+ and S (treating hydrogen atoms implicitly) by fitting these constants to ...

Schematic and two-dimensional representations such as `roadmap'
Chapman, M. S. and Connolly, M. L.  International Tables for Crystallography (2012). Vol. F, Section 22.2.4.2, p. 719 [ doi:10.1107/97809553602060000886 ]
... individual amino acids were labelled. The methods were extended by Chapman (1993) to other proteins and to the automatic display of ... same view is coloured according to sequence similarity (Palmenberg, 1989; Chapman, 1994), with blue being the most conserved rhinoviral amino acids ... site-directed or natural mutants. Part (b) is reproduced from Chapman (1993). Copyright (1993) The Protein Society. Reprinted with ...
     [more results from section 22.2.4 in volume F]

Other non-graphical interpretive methods using surface area
Chapman, M. S. and Connolly, M. L.  International Tables for Crystallography (2012). Vol. F, Section 22.2.3.3, pp. 716-717 [ doi:10.1107/97809553602060000886 ]
... polyhedral molecular surface. If more than half of the sphere's volume overlaps the molecular volume, then the surface is concave ... of the hypervariable regions of known antibody structures. References Gerstein, M. (1992). A resolution-sensitive procedure for comparing surfaces and ... sites. Acta Cryst. A48, 271-276. Lee, B. & Richards, F. M. (1971). The interpretation of protein structures: estimation of ...
     [more results from section 22.2.3 in volume F]

Extended atoms account for missing hydrogen atoms
Chapman, M. S. and Connolly, M. L.  International Tables for Crystallography (2012). Vol. F, Section 22.2.2.8, p. 715 [ doi:10.1107/97809553602060000886 ]
Extended atoms account for missing hydrogen atoms 22.2.2.8. Extended atoms account for missing hydrogen atoms Structures of macromolecules determined by X-ray crystallography rarely reveal the positions of the hydrogen atoms. It is, of course, possible to add explicit hydrogen atoms at the stereochemically most likely positions, but this is rarely ...
     [more results from section 22.2.2 in volume F]

Hydrophobicity
Chapman, M. S. and Connolly, M. L.  International Tables for Crystallography (2012). Vol. F, Section 22.2.1.4, p. 714 [ doi:10.1107/97809553602060000886 ]
... protein denaturation. Adv. Protein Chem. 14, 1-63. Richards, F. M. (1985). Calculation of molecular volumes and areas for structures ...
     [more results from section 22.2.1 in volume F]

Conclusion
Chapman, M. S. and Connolly, M. L.  International Tables for Crystallography (2012). Vol. F, Section 22.2.5, p. 719 [ doi:10.1107/97809553602060000886 ]
... Fourier synthesis at 2 resolution. Nature (London), 206, 757-761. Chapman, M. S. (1993). Mapping the surface properties of macromolecules. Protein ...

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