Determining protein structure from electron-density maps using pattern matching

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Determining protein structure from electron-density maps using pattern matching.

TEXTAL is an automated system for building protein structures from electron-density maps. It uses pattern recognition to select regions in a database of previously determined structures that are similar to regions in a map of unknown structure. Rotation-invariant numerical values, called features, of the electron density are extracted from spherical regions in an unknown map and compared with f...

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TEXTAL: A Pattern Recognition System for Interpreting Electron Density Maps

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 electron density map to build the final model. This is often done manually by crystallographers and is very time-consuming and error-prone. In this paper, we introduce a new automated sy...

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Statistical density modification using local pattern matching

A method for improving crystallographic phases is presented that is based on the preferential occurrence of certain local patterns of electron density in macromolecular electron-density maps. The method focuses on the relationship between the value of electron density at a point in the map and the pattern of density surrounding this point. Patterns of density that can be superimposed by rotatio...

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Creating protein models from electron-density maps using particle-filtering methods

MOTIVATION One bottleneck in high-throughput protein crystallography is interpreting an electron-density map, that is, fitting a molecular model to the 3D picture crystallography produces. Previously, we developed ACMI (Automatic Crystallographic Map Interpreter), an algorithm that uses a probabilistic model to infer an accurate protein backbone layout. Here, we use a sampling method known as p...

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ژورنال

عنوان ژورنال: Acta Crystallographica Section D Biological Crystallography

سال: 2000

ISSN: 0907-4449

DOI: 10.1107/s0907444900003450