Orientational Restraints

Author(s):  
Eva de Alba ◽  
Nico Tjandra
2000 ◽  
Vol 147 (1) ◽  
pp. 9-16 ◽  
Author(s):  
Richard Bertram ◽  
J.R Quine ◽  
Michael S Chapman ◽  
Timothy A Cross

2008 ◽  
Vol 191 (1) ◽  
pp. 24-30 ◽  
Author(s):  
S. Achuthan ◽  
T. Asbury ◽  
J. Hu ◽  
R. Bertram ◽  
T.A. Cross ◽  
...  

Biochemistry ◽  
2000 ◽  
Vol 39 (49) ◽  
pp. 15217-15224 ◽  
Author(s):  
Vadim Gaponenko ◽  
Alex Dvoretsky ◽  
Charles Walsby ◽  
Brian M. Hoffman ◽  
Paul R. Rosevear

2011 ◽  
Vol 80 (2) ◽  
pp. 433-453 ◽  
Author(s):  
Chittaranjan Tripathy ◽  
Jianyang Zeng ◽  
Pei Zhou ◽  
Bruce Randall Donald

2011 ◽  
Vol 44 (6) ◽  
pp. 1264-1271 ◽  
Author(s):  
Guillaume Evrard ◽  
Fabien Mareuil ◽  
Francois Bontems ◽  
Christina Sizun ◽  
Javier Perez

DADIMODOis a program for refining atomic models of multidomain proteins or complexes against small-angle X-ray scattering data. Interdomain distance and orientational restraints, such as those derived from NMR measurements, can be included in the optimization process. While domain structures are mainly kept rigid, flexible regions can be user defined. Stepwise generic conformational changes, specified by the user, are applied cyclically in a stochastic optimization algorithm that performs a search in the protein conformation space. The convergence for this genetic algorithm is driven by an adaptable selection pressure. The algorithmic structure guarantees that a physically acceptable full atomic model of the structure is present at all stages of the optimization. A graphical user interface ensures user-friendly handling.


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