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Bayesian analysis o...
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Katona, Gergely,1975Gothenburg University,Göteborgs universitet,Institutionen för kemi och molekylärbiologi,Department of Chemistry and Molecular Biology,University of Gothenburg, Sweden
(author)
Bayesian analysis of non-thermal structural changes induced by terahertz radiation in protein crystals
- Article/chapterEnglish2016
Publisher, publication year, extent ...
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New York :IEEE conference proceedings,2016
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printrdacarrier
Numbers
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LIBRIS-ID:oai:DiVA.org:lnu-60626
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ISBN:9781467384858
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https://urn.kb.se/resolve?urn=urn:nbn:se:lnu:diva-60626URI
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https://doi.org/10.1109/IRMMW-THz.2016.7758457DOI
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https://research.chalmers.se/publication/245810URI
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https://gup.ub.gu.se/publication/250555URI
Supplementary language notes
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Language:English
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Summary in:English
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Subject category:ref swepub-contenttype
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Subject category:kon swepub-publicationtype
Notes
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We have periodically (25ms on - 25ms off) illuminated lysozyme crystals with 0.4 THz radiation and simultaneously monitored their X-ray diffraction intensity in order to study non-thermal structural changes in the protein. In this work we analyze the X-ray scaled and unmerged diffraction intensity observations using a multivariate Bayesian model in order to improve the accuracy of the intensity estimates. The diffraction intensity pairs of the illuminated and non-illuminated state show a predominantly positive correlation. The correlation decreases with increasing resolution suggesting that finer slicing and faster sampling of the rocking curve may further improve the accuracy and effect size of structure factor amplitude differences, making the interpretation of structural changes more straightforward. The improved analysis retains the most important structural features described previously (in helix 3) and provide addition details about the B-factor changes close to the substrate binding site.
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Lundholm, Ida,1986Gothenburg University,Göteborgs universitet,Institutionen för kemi och molekylärbiologi,Department of Chemistry and Molecular Biology,University of Gothenburg, Sweden(Swepub:gu)xlunid
(author)
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Rodilla, Helena,1982Chalmers University of Technology, Sweden,Chalmers tekniska högskola(Swepub:cth)rodilla
(author)
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Garcia-Bonete, Maria-Jose,1989Gothenburg University,Göteborgs universitet,Institutionen för kemi och molekylärbiologi,Department of Chemistry and Molecular Biology,University of Gothenburg, Sweden(Swepub:gu)xbonem
(author)
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Duelli, Annette,1980Gothenburg University,Göteborgs universitet,Institutionen för kemi och molekylärbiologi,Department of Chemistry and Molecular Biology,University of Gothenburg, Sweden(Swepub:gu)xduean
(author)
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Wahlgren, Weixiao Yuan,1970Gothenburg University,Göteborgs universitet,Institutionen för kemi och molekylärbiologi,Department of Chemistry and Molecular Biology,University of Gothenburg, Sweden(Swepub:gu)xyuawe
(author)
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Bourenkov, GlebDESY, European Mol Biol Lab Hamburg Outstn, Germany,European Molecular Biology Laboratory
(author)
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Vukusic, Josip,1972Chalmers University of Technology, Sweden,Chalmers tekniska högskola(Swepub:cth)vukusic
(author)
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Friedman, RanLinnéuniversitetet,Institutionen för kemi och biomedicin (KOB),CCBG;Linnaeus Ctr Biomat Chem, BMC(Swepub:lnu)rafraa
(author)
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Schneider, ThomasDESY, European Mol Biol Lab Hamburg Outstn, Germany,European Molecular Biology Laboratory
(author)
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Stake, Jan,1971Chalmers University of Technology, Sweden,Chalmers tekniska högskola(Swepub:cth)stake
(author)
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Göteborgs universitetInstitutionen för kemi och molekylärbiologi
(creator_code:org_t)
Related titles
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In:2016 41ST INTERNATIONAL CONFERENCE ON INFRARED, MILLIMETER, AND TERAHERTZ WAVES (IRMMW-THZ)New York : IEEE conference proceedings2162-20272162-20359781467384858
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