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Macromolecular structures calculation and refinement

Divide and Conquer for Semiempiricai MO Methods Drug Design Linear Scaiing Methods for Eiectronic Structure Calculations Macromolecular Structure Calculation and Refinement by Simulated Annealing Methods and Applications Parallel Processing for Ab Initio Quantum Mechanical Methods. [Pg.1463]

MACROMOLECULAR STRUCTURE CALCULATION AND REFINEMENT BY SIMULATED ANNEALING 1525... [Pg.1525]

Macromolecular Structure Calculation and Refinement by Simulated Annealing Methods and Applications... [Pg.1525]

Simulated annealing has improved the efficiency of macromolecular structure calculation and refinement significantly. [Pg.1534]

The other exciting use of simulations is in helping to refine experimental structures. Unlike small molecule X-ray studies, macromolecular crystallography and NMR lead to structures which are underdetermined and, thus, simulations can be useful in conjunction with the experimental data to refine/determine such structures. Structural refinement and analysis is covered by articles by Billeter Macromolecular Structures Determined using NMR Data), Brunger Macromolecular Structure Calculation and Refinement by Simulated Annealing Methods and Applications), Case NMR Refinement), and Miller Molecular Superposition). [Pg.3439]

See other pages where Macromolecular structures calculation and refinement is mentioned: [Pg.276]    [Pg.555]    [Pg.1138]    [Pg.1143]    [Pg.1156]    [Pg.1540]    [Pg.1912]    [Pg.2167]    [Pg.2187]    [Pg.2599]    [Pg.3366]   
See also in sourсe #XX -- [ Pg.3 ]



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Macromolecular structures

STRUCTURE REFINING

Structural refinement

Structure calculations

Structure refinement

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