Searching conformational space
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Adams, P. D. and
Rice, L. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.2.4,
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Temperature control
Brunger, A. T.,
Adams, P. D. and
Rice, L. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.2.4.2,
p.
[ doi:10.1107/97809553602060000856 ]
...
Molecular dynamics
Brunger, A. T.,
Adams, P. D. and
Rice, L. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.2.4.1,
p.
[ doi:10.1107/97809553602060000856 ]
Scholar
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An intuitive explanation of simulated annealing
Brunger, A. T.,
Adams, P. D. and
Rice, L. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.2.4.4,
p.
[ doi:10.1107/97809553602060000856 ]
of a one-dimensional problem, where the goal is to find the global minimum of a function with multiple minima (Fig.
18.2.4.1) . An intuitive way to understand a molecular-dynamics simulation is to envisage a ball rolling on this one-dimensional surface ...
Annealing schedules
Brunger, A. T.,
Adams, P. D. and
Rice, L. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.2.4.3,
p.
[ doi:10.1107/97809553602060000856 ]
...
