Combined Small-Angle X-ray and Neutron Scattering Restraints in Molecular Dynamics Simulations.


Journal

Journal of chemical theory and computation
ISSN: 1549-9626
Titre abrégé: J Chem Theory Comput
Pays: United States
ID NLM: 101232704

Informations de publication

Date de publication:
13 Aug 2019
Historique:
pubmed: 30 6 2019
medline: 24 8 2019
entrez: 29 6 2019
Statut: ppublish

Résumé

Small-angle X-ray and small-angle neutron scattering (SAXS/SANS) provide unique structural information on biomolecules and their complexes in solution. SANS may provide multiple independent data sets by means of contrast variation experiments, that is, by measuring at different D

Identifiants

pubmed: 31251056
doi: 10.1021/acs.jctc.9b00292
doi:

Substances chimiques

DNA-Binding Proteins 0
Drosophila Proteins 0
RNA-Binding Proteins 0
Sxl protein, Drosophila 0
UNR protein, Drosophila 0
RNA 63231-63-0
Citrate (si)-Synthase EC 2.3.3.1

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

4687-4698

Auteurs

Po-Chia Chen (PC)

Structural and Computational Biology Unit , EMBL Heidelberg , Meyerhofstrasse 1 , 69117 Heidelberg , Germany.

Roman Shevchuk (R)

Institute for Microbiology and Genetics , Georg-August-Universität Göttingen , Justus-von-Liebig-Weg 11 , 37077 Göttingen , Germany.

Felix M Strnad (FM)

Institute for Microbiology and Genetics , Georg-August-Universität Göttingen , Justus-von-Liebig-Weg 11 , 37077 Göttingen , Germany.

Charlotte Lorenz (C)

Jülich Centre for Neutron Science (JCNS-1) and Institute for Complex Systems ICS (ICS-1) , Forschungszentrum Jülich GmbH , 52425 Jülich , Germany.
Institute of Physical Chemistry , RWTH Aachen University , Landoltweg 2 , 52056 Aachen , Germany.

Lukas Karge (L)

Heinz Maier-Leibnitz Zentrum , Technische Universität München , Lichtenbergstrasse 1 , 85748 Garching , Germany.

Ralph Gilles (R)

Heinz Maier-Leibnitz Zentrum , Technische Universität München , Lichtenbergstrasse 1 , 85748 Garching , Germany.

Andreas M Stadler (AM)

Jülich Centre for Neutron Science (JCNS-1) and Institute for Complex Systems ICS (ICS-1) , Forschungszentrum Jülich GmbH , 52425 Jülich , Germany.
Institute of Physical Chemistry , RWTH Aachen University , Landoltweg 2 , 52056 Aachen , Germany.

Janosch Hennig (J)

Structural and Computational Biology Unit , EMBL Heidelberg , Meyerhofstrasse 1 , 69117 Heidelberg , Germany.

Jochen S Hub (JS)

Theoretical Physics and Center for Biophysics , Saarland University , Campus E2 6, 66123 Saarbrücken , Germany.

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Classifications MeSH