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Enhanced macromolecular refinement by simulated annealing
Brunger, A. T., Adams, P. D. and Rice, L. M., International Tables for Crystallography (2012). Vol. F, ch. 18.2, pp. 466-473 [ doi:10.1107/97809553602060000856 ]
Google Scholar Brunger, A. T., Adams, P. D., Clore, G. M., DeLano, W. L., Gros, P., Grosse-Kunstleve, R. W., Jiang, J.-S., Kuszewski, J., Nilges, M., Pannu, N. S., Read, R. J., Rice, L. M., Simonson, T. & Warren, G. L ...

Searching conformational space
Brunger, A. T., Adams, P. D. and Rice, L. M., International Tables for Crystallography (2012). Vol. F, Section 18.2.4, pp. 468-470 [ doi:10.1107/97809553602060000856 ]
A., Teller, A. & Teller, E. (1953). Equation of state calculations by fast computing machines. J. Chem. Phys . 21, 1087–1092. Google Scholar Rice, L. M. & Brunger, A. T. (1994). Torsion angle dynamics: reduced variable conformational ...
     [more results from section 18.2.4 in volume F]

Conclusions
Brunger, A. T., Adams, P. D. and Rice, L. M., International Tables for Crystallography (2012). Vol. F, Section 18.2.8, pp. 472-472 [ doi:10.1107/97809553602060000856 ]
Grosse-Kunstleve, R. W., Jiang, J.-S., Kuszewski, J., Nilges, M., Pannu, N. S., Read, R. J., Rice, L. M., Simonson, T. & Warren, G. L. (1998). Crystallography & NMR system: a new software suite for macromolecular structure determination ...

A priori chemical information
Brunger, A. T., Adams, P. D. and Rice, L. M., International Tables for Crystallography (2012). Vol. F, Section 18.2.3.2, pp. 468-468 [ doi:10.1107/97809553602060000856 ]

     [more results from section 18.2.3 in volume F]

Introduction
Brunger, A. T., Adams, P. D. and Rice, L. M., International Tables for Crystallography (2012). Vol. F, Section 18.2.1, pp. 466-466 [ doi:10.1107/97809553602060000856 ]
pp. 498–546. Cambridge University Press. Google Scholar Read, R. J. (1997). Model phases: probabilities and bias. Methods Enzymol . 278, 110–128. Google Scholar Rice, L. M. & Brunger, A. T. (1994). Torsion angle ...

Ensemble models
Brunger, A. T., Adams, P. D. and Rice, L. M., International Tables for Crystallography (2012). Vol. F, Section 18.2.7, pp. 471-472 [ doi:10.1107/97809553602060000856 ]


Examples
Brunger, A. T., Adams, P. D. and Rice, L. M., International Tables for Crystallography (2012). Vol. F, Section 18.2.5, pp. 470-471 [ doi:10.1107/97809553602060000856 ]
S. & Read, R. J. (1996). Improved structure refinement through maximum likelihood. Acta Cryst . A 52, 659–668. Google Scholar Rice, L. M. & Brunger, A. T. (1994). Torsion angle dynamics: reduced variable conformational sampling ...

Multi-start refinement and structure-factor averaging
Brunger, A. T., Adams, P. D. and Rice, L. M., International Tables for Crystallography (2012). Vol. F, Section 18.2.6, pp. 471-471 [ doi:10.1107/97809553602060000856 ]
by simulated annealing: application to a 2.8 Å resolution structure of aspartate aminotransferase. J. Mol. Biol . 203, 803–816. Google Scholar Rice, L. M., Shamoo, Y. & Brunger, A. T. (1998). Phase improvement by multi-start simulated ...

Cross validation
Brunger, A. T., Adams, P. D. and Rice, L. M., International Tables for Crystallography (2012). Vol. F, Section 18.2.2, pp. 466-467 [ doi:10.1107/97809553602060000856 ]


CNS, a program system for structure-determination and refinement
Brunger, A. T., Adams, P. D., DeLano, W. L., Gros, P., Grosse-Kunstleve, R. W., Jiang, J.-S., Pannu, N. S., Read, R. J., Rice, L. M. and Simonson, T., International Tables for Crystallography (2012). Vol. F, ch. 18.6, pp. 512-519 [ doi:10.1107/97809553602060000860 ]
Rice, L. M., Simonson, T. & Warren, G. L. (1998). Crystallography & NMR System (CNS): a new software suite for macromolecular structure determination. Acta Cryst. D 54, 905–921. Google Scholar Brünger, A. T., Adams, P. D ...

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