Automated protein structure determination withBnP
نویسندگان
چکیده
منابع مشابه
Automated protein structure determination from NMR spectra.
Fully automated structure determination of proteins in solution (FLYA) yields, without human intervention, three-dimensional protein structures starting from a set of multidimensional NMR spectra. Integrating existing and new software, automated peak picking over all spectra is followed by peak list filtering, the generation of an ensemble of initial chemical shift assignments, the determinatio...
متن کاملAutomated protein crystal structure determination using ELVES.
Efficient determination of protein crystal structures requires automated x-ray data analysis. Here, we describe the expert system ELVES and its use to determine automatically the structure of a 12-kDa protein. Multiwavelength anomalous diffraction analysis of a selenomethionyl derivative was used to image the Asn-16-Ala variant of the GCN4 leucine zipper. In contrast to the parallel, dimeric co...
متن کاملTEXTAL™: Automated Crystallographic Protein Structure Determination
This paper reports on TEXTALTM, a deployed application that uses a variety of AI techniques to automate the process of determining the 3D structure of proteins by x-ray crystallography. The TEXTALTM project was initiated in 1998, and the application is currently deployed in three ways: (1) a web-based interface called WebTex, operational since June 2002; (2) as the automated modelbuilding compo...
متن کاملTEXTALTM: Artificial Intelligence Techniques for Automated Protein Structure Determination
X-ray crystallography is the most widely used method for determining the three-dimensional structures of proteins and other macromolecules. One of the most difficult steps in crystallography is interpreting the 3D image of the electron density cloud surrounding the protein. This is often done manually by crystallographers and is very time-consuming and error-prone. The difficulties stem from th...
متن کاملAccurate Automated Protein NMR Structure Determination Using Unassigned NOESY Data
Conventional NMR structure determination requires nearly complete assignment of the cross peaks of a refined NOESY peak list. Depending on the size of the protein and quality of the spectral data, this can be a time-consuming manual process requiring several rounds of peak list refinement and structure determination. Programs such as Aria, CYANA, and AutoStructure can generate models using unas...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2005
ISSN: 0108-7673
DOI: 10.1107/s010876730509762x