Computational Aspects of High-Throughput Crystallographic Macromolecular Structure Determination

2005 ◽  
pp. 75-87
Author(s):  
Paul D. Adams ◽  
Ralf W. Grosse-Kunstleve ◽  
Axel T. Brunger
Keyword(s):  
High Throughput ◽  
Structure Determination ◽  
Macromolecular Structure ◽  
Computational Aspects

Molecular replacement and high-throughput structure determination

2002 ◽  
Vol 217 (12) ◽  
Author(s):  
J. Navaza ◽  
P. M. Alzari
Keyword(s):  
High Throughput ◽  
Structure Determination ◽  
Solution Space ◽  
Molecular Replacement ◽  
Fast Rotation ◽  
The Way

AbstractWe describe the philosophy of the MR method as implemented in the AMoRe package. Fast rotation and translation functions are first used to obtain a meaningful sampling of solution space, whose elements are subsequently assessed by using more robust criteria. The introduction of fast and accurate algorithms for screening a large number of possible solutions opened the way to automation, thus bringing MR methods to the realm of high-throughput structure determination. Selected examples are discussed to illustrate specific aspects of the method.

Fast native-SAD phasing for routine macromolecular structure determination

2014 ◽  
Vol 12 (2) ◽  
pp. 131-133 ◽  
Author(s):  
Tobias Weinert ◽  
Vincent Olieric ◽  
Sandro Waltersperger ◽  
Ezequiel Panepucci ◽  
Lirong Chen ◽  
...  
Keyword(s):  
Structure Determination ◽  
Macromolecular Structure ◽  
Sad Phasing

Macromolecular Structure Determination by NMR Spectroscopy

2005 ◽  
pp. 89-113 ◽  
Author(s):  
John L. Markley ◽  
Eldon L. Ulrich ◽  
William M. Westler ◽  
Brian F. Volkman
Keyword(s):  
Nmr Spectroscopy ◽  
Structure Determination ◽  
Macromolecular Structure

Computational challenges for macromolecular structure determination by X-ray crystallography and solution NMRspectroscopy

1993 ◽  
Vol 26 (1) ◽  
pp. 49-125 ◽  
Author(s):  
Axel T. Brünger ◽  
Michael Nilges
Keyword(s):  
Nmr Spectroscopy ◽  
Structure Determination ◽  
Solution Nmr ◽  
Macromolecular Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
The Past ◽  
Solution Nmr Spectroscopy

Macromolecular structure determination by X-ray crystallography and solution NMR spectroscopy has experienced unprecedented growth during the past decade.

scholarly journals Erratum: Corrigendum: Fast native-SAD phasing for routine macromolecular structure determination

2015 ◽  
Vol 12 (7) ◽  
pp. 692-692
Author(s):  
Tobias Weinert ◽  
Vincent Olieric ◽  
Sandro Waltersperger ◽  
Ezequiel Panepucci ◽  
Lirong Chen ◽  
...  
Keyword(s):  
Structure Determination ◽  
Macromolecular Structure ◽  
Sad Phasing
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