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Results for DC.creator="M." AND DC.creator="Gerstein" in section 22.1.3 of volume F |
Definitions of protein surface
International Tables for Crystallography (2012). Vol. F, Section 22.1.3, pp. 706-708 [ doi:10.1107/97809553602060000885 ]
... resolution protein crystal structures, which have many solvent atoms positioned (Gerstein & Chothia, 1996). Alternatively, one can make up the positions ... to the results of molecular simulation (Finney et al., 1980; Gerstein et al., 1995; Richards, 1974). 22.1.3.2. Definitions of surface ... to be the natural boundary for a protein in solution (Gerstein & Lynden-Bell, 1993c). Protein surfaces defined in terms ...
Molecular surface as the sum of the contact and re-entrant surfaces (MS = CS + RS)
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.3.3, pp. 707-708 [ doi:10.1107/97809553602060000885 ]
Molecular surface as the sum of the contact and re-entrant surfaces (MS = CS + RS) 22.1.3.3.3. Molecular surface as the sum of the contact and re-entrant surfaces (MS = CS + RS) Like the solvent-accessible surface, the molecular surface is also closed, but it contains a mixture of convex and concave ...
Solvent-accessible surface (SAS)
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.3.2, p. 707 [ doi:10.1107/97809553602060000885 ]
... size of the probe increases. References Lee, B. & Richards, F. M. (1971). The interpretation of protein structures: estimation of static ...
van der Waals surface (VDWS)
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.3.1, p. 707 [ doi:10.1107/97809553602060000885 ]
van der Waals surface (VDWS) 22.1.3.3.1. van der Waals surface (VDWS) The area of the van der Waals surface will be calculated by the various area algorithms (see Section 22.2.2 in Chapter 22.2) when the probe radius is set to zero. This is a mathematical calculation only. There is no physical ...
Definitions of surface in terms of a probe sphere
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.3, pp. 707-708 [ doi:10.1107/97809553602060000885 ]
... surface more closely linked to the behaviour of real water (Gerstein & Lynden-Bell, 1993c). The definitions of accessible surface and ... Leicester et al., 1988; Pattabiraman et al., 1995). References Gerstein, M. & Lynden-Bell, R. M. (1993c). What is the ...
Definitions of surface in terms of Voronoi polyhedra (the convex hull)
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.2, p. 706 [ doi:10.1107/97809553602060000885 ]
... to be the natural boundary for a protein in solution (Gerstein & Lynden-Bell, 1993c). Protein surfaces defined in terms of ... deep grooves and clefts (see Fig. 22.1.3.2). References Connolly, M. L. (1991). Molecular interstitial skeleton. Comput. Chem. 15, 37-45. Gerstein, M. & Lynden-Bell, R. M. (1993c). What is ...
The problem of the protein surface
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.1, p. 706 [ doi:10.1107/97809553602060000885 ]
... resolution protein crystal structures, which have many solvent atoms positioned (Gerstein & Chothia, 1996). Alternatively, one can make up the positions ... to the results of molecular simulation (Finney et al., 1980; Gerstein et al., 1995; Richards, 1974). References Finney, J. L. ... and dynamics of globular proteins. Biophys. J. 32, 17-33. Gerstein, M. & Chothia, C. (1996). Packing at the protein- ...
Further points
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.3.4, p. 708 [ doi:10.1107/97809553602060000885 ]
... surface more closely linked to the behaviour of real water (Gerstein & Lynden-Bell, 1993c). The definitions of accessible surface and ... Leicester et al., 1988; Pattabiraman et al., 1995). References Gerstein, M. & Lynden-Bell, R. M. (1993c). What is the ...
International Tables for Crystallography (2012). Vol. F, Section 22.1.3, pp. 706-708 [ doi:10.1107/97809553602060000885 ]
... resolution protein crystal structures, which have many solvent atoms positioned (Gerstein & Chothia, 1996). Alternatively, one can make up the positions ... to the results of molecular simulation (Finney et al., 1980; Gerstein et al., 1995; Richards, 1974). 22.1.3.2. Definitions of surface ... to be the natural boundary for a protein in solution (Gerstein & Lynden-Bell, 1993c). Protein surfaces defined in terms ...
Molecular surface as the sum of the contact and re-entrant surfaces (MS = CS + RS)
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.3.3, pp. 707-708 [ doi:10.1107/97809553602060000885 ]
Molecular surface as the sum of the contact and re-entrant surfaces (MS = CS + RS) 22.1.3.3.3. Molecular surface as the sum of the contact and re-entrant surfaces (MS = CS + RS) Like the solvent-accessible surface, the molecular surface is also closed, but it contains a mixture of convex and concave ...
Solvent-accessible surface (SAS)
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.3.2, p. 707 [ doi:10.1107/97809553602060000885 ]
... size of the probe increases. References Lee, B. & Richards, F. M. (1971). The interpretation of protein structures: estimation of static ...
van der Waals surface (VDWS)
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.3.1, p. 707 [ doi:10.1107/97809553602060000885 ]
van der Waals surface (VDWS) 22.1.3.3.1. van der Waals surface (VDWS) The area of the van der Waals surface will be calculated by the various area algorithms (see Section 22.2.2 in Chapter 22.2) when the probe radius is set to zero. This is a mathematical calculation only. There is no physical ...
Definitions of surface in terms of a probe sphere
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.3, pp. 707-708 [ doi:10.1107/97809553602060000885 ]
... surface more closely linked to the behaviour of real water (Gerstein & Lynden-Bell, 1993c). The definitions of accessible surface and ... Leicester et al., 1988; Pattabiraman et al., 1995). References Gerstein, M. & Lynden-Bell, R. M. (1993c). What is the ...
Definitions of surface in terms of Voronoi polyhedra (the convex hull)
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.2, p. 706 [ doi:10.1107/97809553602060000885 ]
... to be the natural boundary for a protein in solution (Gerstein & Lynden-Bell, 1993c). Protein surfaces defined in terms of ... deep grooves and clefts (see Fig. 22.1.3.2). References Connolly, M. L. (1991). Molecular interstitial skeleton. Comput. Chem. 15, 37-45. Gerstein, M. & Lynden-Bell, R. M. (1993c). What is ...
The problem of the protein surface
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.1, p. 706 [ doi:10.1107/97809553602060000885 ]
... resolution protein crystal structures, which have many solvent atoms positioned (Gerstein & Chothia, 1996). Alternatively, one can make up the positions ... to the results of molecular simulation (Finney et al., 1980; Gerstein et al., 1995; Richards, 1974). References Finney, J. L. ... and dynamics of globular proteins. Biophys. J. 32, 17-33. Gerstein, M. & Chothia, C. (1996). Packing at the protein- ...
Further points
International Tables for Crystallography (2012). Vol. F, Section 22.1.3.3.4, p. 708 [ doi:10.1107/97809553602060000885 ]
... surface more closely linked to the behaviour of real water (Gerstein & Lynden-Bell, 1993c). The definitions of accessible surface and ... Leicester et al., 1988; Pattabiraman et al., 1995). References Gerstein, M. & Lynden-Bell, R. M. (1993c). What is the ...
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