Ab initio electron density determination directly from solution scattering data.
Nat Methods
; 15(3): 191-193, 2018 03.
Article
en En
| MEDLINE
| ID: mdl-29377013
ABSTRACT
Using a novel iterative structure factor retrieval algorithm, here I show that electron density can be directly calculated from solution scattering data without modeling. The algorithm was validated with experimental data from 12 different biological macromolecules. This approach avoids many of the assumptions limiting the resolution and accuracy of modeling algorithms by explicitly calculating electron density. This algorithm can be applied to a wide variety of molecular systems.
Texto completo:
1
Banco de datos:
MEDLINE
Asunto principal:
Algoritmos
/
Cristalografía por Rayos X
/
Sustancias Macromoleculares
/
Electrones
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Dispersión del Ángulo Pequeño
Tipo de estudio:
Prognostic_studies
Idioma:
En
Año:
2018
Tipo del documento:
Article