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Halogen interactions in biomolecular crystal structures
International Tables for Crystallography (2012). Vol. F, ch. 23.6, pp. 821-826 [ doi:10.1107/97809553602060000895 ]
... of the respective halobenzene versus unsubstituted benzene (Px[varphi] and P[varphi], respectively++), the associated contributions to the solvation free energies ... substituted benzoic acids, as reflected in the Hammett constants¶ ([sigma]p and [sigma]m, respectively). Halogen (X)rvdW (Å)log(Px[varphi]) - log(P[varphi])SFE (calÅ-2)[sigma]p[sigma]m F ...
Other halogen-specific electrostatic interactions in biological macromolecules
International Tables for Crystallography (2012). Vol. F, Section 23.6.3.2, p. 825 [ doi:10.1107/97809553602060000895 ]
... International Tables for Crystallography (2012). Vol. F, ch. 23.6, p. 825 © International Union of Crystallography 2012 | home | resources | advanced search ...
[more results from section 23.6.3 in volume F]
Substituent effects
International Tables for Crystallography (2012). Vol. F, Section 23.6.2.2, pp. 821-822 [ doi:10.1107/97809553602060000895 ]
... al., 2000; Hart et al., 2000). References Hammett, L. P. (1937). The effect of structure upon the reactions of ... He, S., Chany, C. J. II, Withers, S. G., Sims, P. F., Sinnott, M. L. & Brumer, H. III (2000). Identification ...
[more results from section 23.6.2 in volume F]
Introduction
International Tables for Crystallography (2012). Vol. F, Section 23.6.1, p. 821 [ doi:10.1107/97809553602060000895 ]
... G., Bhat, T. N., Weissig, H., Shindyalov, I. N. & Bourne, P. E. (2000). The Protein Data Bank. Nucleic Acids Res. ... DNA. Biochemistry, 40, 2041-2051. Wang, L., Xie, J. & Schultz, P. G. (2006). Expanding the genetic code. Annu. Rev. Biophys. ... J., Wang, L., Wu, N., Brock, A., Spraggon, G. & Schultz, P. G. (2004). The site-specific incorporation of p- ...
Concluding remarks
International Tables for Crystallography (2012). Vol. F, Section 23.6.4, p. 825 [ doi:10.1107/97809553602060000895 ]
... CI-1031) complexed with factor Xa. Biochemistry, 39, 12534-12542. Auffinger, P., Hays, F. A., Westhof, E. & Ho, P. S. (2004). Halogen bonds in biological molecules. Proc. ...
International Tables for Crystallography (2012). Vol. F, ch. 23.6, pp. 821-826 [ doi:10.1107/97809553602060000895 ]
... of the respective halobenzene versus unsubstituted benzene (Px[varphi] and P[varphi], respectively++), the associated contributions to the solvation free energies ... substituted benzoic acids, as reflected in the Hammett constants¶ ([sigma]p and [sigma]m, respectively). Halogen (X)rvdW (Å)log(Px[varphi]) - log(P[varphi])SFE (calÅ-2)[sigma]p[sigma]m F ...
Other halogen-specific electrostatic interactions in biological macromolecules
International Tables for Crystallography (2012). Vol. F, Section 23.6.3.2, p. 825 [ doi:10.1107/97809553602060000895 ]
... International Tables for Crystallography (2012). Vol. F, ch. 23.6, p. 825 © International Union of Crystallography 2012 | home | resources | advanced search ...
[more results from section 23.6.3 in volume F]
Substituent effects
International Tables for Crystallography (2012). Vol. F, Section 23.6.2.2, pp. 821-822 [ doi:10.1107/97809553602060000895 ]
... al., 2000; Hart et al., 2000). References Hammett, L. P. (1937). The effect of structure upon the reactions of ... He, S., Chany, C. J. II, Withers, S. G., Sims, P. F., Sinnott, M. L. & Brumer, H. III (2000). Identification ...
[more results from section 23.6.2 in volume F]
Introduction
International Tables for Crystallography (2012). Vol. F, Section 23.6.1, p. 821 [ doi:10.1107/97809553602060000895 ]
... G., Bhat, T. N., Weissig, H., Shindyalov, I. N. & Bourne, P. E. (2000). The Protein Data Bank. Nucleic Acids Res. ... DNA. Biochemistry, 40, 2041-2051. Wang, L., Xie, J. & Schultz, P. G. (2006). Expanding the genetic code. Annu. Rev. Biophys. ... J., Wang, L., Wu, N., Brock, A., Spraggon, G. & Schultz, P. G. (2004). The site-specific incorporation of p- ...
Concluding remarks
International Tables for Crystallography (2012). Vol. F, Section 23.6.4, p. 825 [ doi:10.1107/97809553602060000895 ]
... CI-1031) complexed with factor Xa. Biochemistry, 39, 12534-12542. Auffinger, P., Hays, F. A., Westhof, E. & Ho, P. S. (2004). Halogen bonds in biological molecules. Proc. ...
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