Get started
Work

Advances, Interactions, and Future Developments in the CNS, Phenix, and Rosetta Structural Biology Software Systems; For Annual Review of Biophysics

Year: 2012
Type: report
Abstract: 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 between these computational methods for crystallographic structure determination and structure prediction and optimization has begun to be exploited.We review some of the advances in the algorithms used for crystallographic structure determination in the Phenix and Crystallography & NMR System software packages, and describe how methods from ab initio structure prediction and refinement in Rosetta have been applied to challenging crystallographic problems.The prospects for future improvement of these methods are discussed.
DOI: 10.2172/1051070
Authors: USDOE National Nuclear Security Administration (NNSA), Paul Adams, David Baker, Axel Brunger, Rhiju Das, Frank DiMaio, Randy Read, David Richardson, Jane Richardson, Thomas Terwilliger
Institutions: Los Alamos National Laboratory, Lawrence Berkeley National Laboratory, University of California, Berkeley, University of Washington, Howard Hughes Medical Institute, Stanford University, University of Cambridge, Duke University, Duke Medical Center
Language: English
Open Access status: green
Awards: G1286236842, G3083819904, G382641700, G42916606, G9000268615, G969889393
OpenAlex ID: W2243753653
Cites:
Cited by:
Related to: 10