uu.seUppsala University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Solution x-ray scattering and structure formation in protein dynamics
Chalmers Univ Technol, Dept Phys, Gothenburg.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Theoretical Physics. Chalmers Univ Technol, Dept Phys, Gothenburg; Stockholm Univ, NORDITA, Stockholm; Univ Tours, Federat Denis Poisson, CNRS UMR 6083, Lab Math & Phys Theor, Parc Grandmont, Tours; Beijing Inst Technol, Sch Phys, Beijing; Far Eastern Fed Univ, Sch Biomed, Lab Phys Living Matter, Vladivostok.ORCID iD: 0000-0003-3408-5834
Univ British Columbia, Dept Phys & Astron, Vancouver.
2017 (English)In: Physical review. E, ISSN 2470-0045, E-ISSN 2470-0053, Vol. 96, no 6, article id 062405Article in journal (Refereed) Published
Abstract [en]

We propose a computationally effective approach that builds on Landau mean-field theory in combination with modern nonequilibrium statistical mechanics to model and interpret protein dynamics and structure formation in small- to wide-angle x-ray scattering (S/WAXS) experiments. We develop the methodology by analyzing experimental data in the case of Engrailed homeodomain protein as an example. We demonstrate how to interpret S/WAXS data qualitatively with a good precision and over an extended temperature range. We explain experimental observations in terms of protein phase structure, and we make predictions for future experiments and for how to analyze data at different ambient temperature values. We conclude that the approach we propose has the potential to become a highly accurate, computationally effective, and predictive tool for analyzing S/WAXS data. For this, we compare our results with those obtained previously in an all-atom molecular dynamics simulation.

Place, publisher, year, edition, pages
2017. Vol. 96, no 6, article id 062405
National Category
Subatomic Physics
Identifiers
URN: urn:nbn:se:uu:diva-339801DOI: 10.1103/PhysRevE.96.062405ISI: 000417759900002PubMedID: 29347365OAI: oai:DiVA.org:uu-339801DiVA, id: diva2:1185383
Funder
Swedish Research CouncilCarl Tryggers foundation Available from: 2018-02-23 Created: 2018-02-23 Last updated: 2018-02-23Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textPubMed

Authority records BETA

Davidsson, JanNiemi, Antti J.

Search in DiVA

By author/editor
Davidsson, JanNiemi, Antti J.
By organisation
Physical ChemistryTheoretical Physics
In the same journal
Physical review. E
Subatomic Physics

Search outside of DiVA

GoogleGoogle Scholar

doi
pubmed
urn-nbn

Altmetric score

doi
pubmed
urn-nbn
Total: 13 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf