Electron density is not spherical: the many applications of the transferable aspherical atom model

In the simplest approach and at low resolution, the electron density of an atom can be approximated by a sphere. However, the resolutions currently achieved in X-ray macromolecular crystallography reach atomic resolutions, where a more sophisticated approach is inevitable. This review summarizes the...

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Detalles Bibliográficos
Autores principales: Kulik, Marta, Dominiak, Paulina M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2022
Materias:
Mini Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9676208/
https://www.ncbi.nlm.nih.gov/pubmed/36420158
http://dx.doi.org/10.1016/j.csbj.2022.10.018
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author Kulik, Marta
Dominiak, Paulina M.
author_facet Kulik, Marta
Dominiak, Paulina M.
author_sort Kulik, Marta
collection PubMed
description In the simplest approach and at low resolution, the electron density of an atom can be approximated by a sphere. However, the resolutions currently achieved in X-ray macromolecular crystallography reach atomic resolutions, where a more sophisticated approach is inevitable. This review summarizes the available electron density and scattering factor models and their applications with emphasis on the transferable aspherical atom model (TAAM).
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spelling pubmed-96762082022-11-22 Electron density is not spherical: the many applications of the transferable aspherical atom model Kulik, Marta Dominiak, Paulina M. Comput Struct Biotechnol J Mini Review In the simplest approach and at low resolution, the electron density of an atom can be approximated by a sphere. However, the resolutions currently achieved in X-ray macromolecular crystallography reach atomic resolutions, where a more sophisticated approach is inevitable. This review summarizes the available electron density and scattering factor models and their applications with emphasis on the transferable aspherical atom model (TAAM). Research Network of Computational and Structural Biotechnology 2022-10-25 /pmc/articles/PMC9676208/ /pubmed/36420158 http://dx.doi.org/10.1016/j.csbj.2022.10.018 Text en © 2022 The Authors https://creativecommons.org/licenses/by/4.0/This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Mini Review
Kulik, Marta
Dominiak, Paulina M.
Electron density is not spherical: the many applications of the transferable aspherical atom model
title Electron density is not spherical: the many applications of the transferable aspherical atom model
title_full Electron density is not spherical: the many applications of the transferable aspherical atom model
title_fullStr Electron density is not spherical: the many applications of the transferable aspherical atom model
title_full_unstemmed Electron density is not spherical: the many applications of the transferable aspherical atom model
title_short Electron density is not spherical: the many applications of the transferable aspherical atom model
title_sort electron density is not spherical: the many applications of the transferable aspherical atom model
topic Mini Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9676208/
https://www.ncbi.nlm.nih.gov/pubmed/36420158
http://dx.doi.org/10.1016/j.csbj.2022.10.018
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AT dominiakpaulinam electrondensityisnotsphericalthemanyapplicationsofthetransferableasphericalatommodel

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