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Ab initio electron density determination directly from solution scattering data

Research output: Contribution to journalArticlepeer-review

200 Scopus citations

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.

Original languageEnglish
Pages (from-to)191-193
Number of pages3
JournalNature Methods
Volume15
Issue number3
DOIs
StatePublished - Mar 1 2018

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