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 ...
