Likelihood-based interactive local docking into cryo-EM maps in ChimeraX.
Acta Crystallogr D Struct Biol
; 80(Pt 8): 588-598, 2024 Aug 01.
Article
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| MEDLINE
| ID: mdl-39058381
ABSTRACT
The interpretation of cryo-EM maps often includes the docking of known or predicted structures of the components, which is particularly useful when the map resolution is worse than 4â
Å. Although it can be effective to search the entire map to find the best placement of a component, the process can be slow when the maps are large. However, frequently there is a well-founded hypothesis about where particular components are located. In such cases, a local search using a map subvolume will be much faster because the search volume is smaller, and more sensitive because optimizing the search volume for the rotation-search step enhances the signal to noise. A Fourier-space likelihood-based local search approach, based on the previously published em_placement software, has been implemented in the new emplace_local program. Tests confirm that the local search approach enhances the speed and sensitivity of the computations. An interactive graphical interface in the ChimeraX molecular-graphics program provides a convenient way to set up and evaluate docking calculations, particularly in defining the part of the map into which the components should be placed.
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Texto completo:
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Bases de datos:
MEDLINE
Asunto principal:
Programas Informáticos
/
Microscopía por Crioelectrón
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Simulación del Acoplamiento Molecular
Idioma:
En
Revista:
Acta Crystallogr D Struct Biol
Año:
2024
Tipo del documento:
Article
País de afiliación:
Reino Unido