Computational aspects of high-throughput crystallographic macromolecular structure determination.
نویسندگان
چکیده
Chapter 4 Computational aspects of high-throughput crystallographic macromolecular structure determination Paul D. Adams, Ralf W. Grosse-Kunstleve and Axel T. Brunger Lawrence Berkeley Laboratory, 1 Cyclotron Road, BLDG 64R0121, Berkeley CA 94720, USA. The Howard Hughes Medical Institute and Departments of Molecular and Cellular Physiology, Neurology and Neurological Sciences, Structural Biology, and Stanford Synchrotron Radiation Laboratory, Stanford University, J. H. Clark Center E300-C, 318 Campus Drive, Stanford, CA 94305, USA.
منابع مشابه
Crystallography & NMR system: A new software suite for macromolecular structure determination.
A new software suite, called Crystallography & NMR System (CNS), has been developed for macromolecular structure determination by X-ray crystallography or solution nuclear magnetic resonance (NMR) spectroscopy. In contrast to existing structure-determination programs, the architecture of CNS is highly flexible, allowing for extension to other structure-determination methods, such as electron mi...
متن کاملGeneralized X-ray and neutron crystallographic analysis: more accurate and complete structures for biological macromolecules
X-ray and neutron crystallographic techniques provide complementary information on the structure and function of biological macromolecules. X-ray and neutron (XN) crystallographic data have been combined in a joint structure-refinement procedure that has been developed using recent advances in modern computational methodologies, including cross-validated maximum-likelihood target functions with...
متن کاملAdvances, interactions, and future developments in the CNS, Phenix, and Rosetta structural biology software systems.
Advances in our understanding of macromolecular structure come from experimental methods, such as X-ray crystallography, and also computational analysis of the growing number of atomic models obtained from such experiments. The later analyses have made it possible to develop powerful tools for structure prediction and optimization in the absence of experimental data. In recent years, a synergy ...
متن کاملProtein crystallography for aspiring crystallographers or how to avoid pitfalls and traps in macromolecular structure determination.
The number of macromolecular structures deposited in the Protein Data Bank now approaches 100,000, with the vast majority of them determined by crystallographic methods. Thousands of papers describing such structures have been published in the scientific literature, and 20 Nobel Prizes in chemistry or medicine have been awarded for discoveries based on macromolecular crystallography. New hardwa...
متن کاملAutomated structure solution with the PHENIX suite.
Significant time and effort are often required to solve and complete a macromolecular crystal structure. The development of automated computational methods for the analysis, solution, and completion of crystallographic structures has the potential to produce minimally biased models in a short time without the need for manual intervention. The PHENIX software suite is a highly automated system f...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Methods of biochemical analysis
دوره 44 شماره
صفحات -
تاریخ انتشار 2003