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Binary integer programming and its use for envelope determination

Vladimir Y. Lunin Alexandre Urzhumtsev Alexander Bockmayr 1
1 MODBIO - Computational models in molecular biology
INRIA Lorraine, LORIA - Laboratoire Lorrain de Recherche en Informatique et ses Applications
Abstract : The density values are linked to the observed magnitudes and unknown phases by a system of non-linear equations. When the object of search is a binary envelope rather than a continuous function of the electron density distribution, these equations can be replaced by a system of linear inequalities with respect to binary unknowns and powerful tools of integer linear programming may be applied to solve the phase problem. This novel approach was tested with calculated and experimental data for a known protein structure.
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Submitted on : Tuesday, September 26, 2006 - 2:50:58 PM
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Vladimir Y. Lunin, Alexandre Urzhumtsev, Alexander Bockmayr. Binary integer programming and its use for envelope determination. CCP4 Newsletter on Protein Crystallography, CCP, 2002, 9 p. ⟨inria-00100778⟩



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