Sökning: onr:"swepub:oai:DiVA.org:uu-416668" > Structural Heteroge...
Fältnamn | Indikatorer | Metadata |
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000 | 03791naa a2200433 4500 | |
001 | oai:DiVA.org:uu-416668 | |
003 | SwePub | |
008 | 200728s2020 | |||||||||||000 ||eng| | |
024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-4166682 URI |
024 | 7 | a https://doi.org/10.1021/acs.jpclett.0c011442 DOI |
040 | a (SwePub)uu | |
041 | a engb eng | |
042 | 9 SwePub | |
072 | 7 | a ref2 swepub-contenttype |
072 | 7 | a art2 swepub-publicationtype |
100 | 1 | a Mandl, Thomasu Uppsala universitet,Molekyl- och kondenserade materiens fysik,University of Applied Sciences Technikum Wien, Höchstädtplatz 6, A-1200 Wien, Austria4 aut0 (Swepub:uu)thoma294 |
245 | 1 0 | a Structural Heterogeneity in Single Particle Imaging Using X-ray Lasers |
264 | c 2020-06-17 | |
264 | 1 | b American Chemical Society (ACS),c 2020 |
338 | a electronic2 rdacarrier | |
520 | a One of the challenges facing single particle imaging with ultrafast X-ray pulses is the structural heterogeneity of the sample to be imaged. For the method to succeed with weakly scattering samples, the diffracted images from a large number of individual proteins need to be averaged. The more the individual proteins differ in structure, the lower the achievable resolution in the final reconstructed image. We use molecular dynamics to simulate two globular proteins in vacuum, fully desolvated as well as with two different solvation layers, at various temperatures. We calculate the diffraction patterns based on the simulations and evaluate the noise in the averaged patterns arising from the structural differences and the surrounding water. Our simulations show that the presence of a minimal water coverage with an average 3 Å thickness will stabilize the protein, reducing the noise associated with structural heterogeneity, whereas additional water will generate more background noise. | |
650 | 7 | a NATURVETENSKAPx Biologix Biofysik0 (SwePub)106032 hsv//swe |
650 | 7 | a NATURAL SCIENCESx Biological Sciencesx Biophysics0 (SwePub)106032 hsv//eng |
650 | 7 | a NATURVETENSKAPx Fysikx Atom- och molekylfysik och optik0 (SwePub)103022 hsv//swe |
650 | 7 | a NATURAL SCIENCESx Physical Sciencesx Atom and Molecular Physics and Optics0 (SwePub)103022 hsv//eng |
700 | 1 | a Östlin, Christoferu Uppsala universitet,Molekyl- och kondenserade materiens fysik4 aut0 (Swepub:uu)chros789 |
700 | 1 | a Dawod, Ibrahim E.u Uppsala universitet,Molekyl- och kondenserade materiens fysik,European XFEL GmbH, Holzkoppel 4, DE-22869 Schenefeld, Germany4 aut0 (Swepub:uu)ibrel100 |
700 | 1 | a Brodmerkel, Maxim N.u Uppsala universitet,Biokemi4 aut0 (Swepub:uu)maxbr578 |
700 | 1 | a Marklund, Erik,c Teknologie doktor,d 1979-u Uppsala universitet,Biokemi,Erik Marklund4 aut0 (Swepub:uu)ermar499 |
700 | 1 | a Martin, Andrew V.4 aut |
700 | 1 | a Timneanu, Nicusoru Uppsala universitet,Molekyl- och kondenserade materiens fysik4 aut0 (Swepub:uu)nti19847 |
700 | 1 | a Caleman, Carlu Uppsala universitet,Molekyl- och kondenserade materiens fysik,Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron, Notkestraße 85, DE-22607 Hamburg, Germany4 aut0 (Swepub:uu)cajca839 |
710 | 2 | a Uppsala universitetb Molekyl- och kondenserade materiens fysik4 org |
773 | 0 | t The Journal of Physical Chemistry Lettersd : American Chemical Society (ACS)g 11:15, s. 6077-6083q 11:15<6077-6083x 1948-7185 |
856 | 4 | u https://doi.org/10.1021/acs.jpclett.0c01144y Fulltext |
856 | 4 | u https://uu.diva-portal.org/smash/get/diva2:1455682/FULLTEXT02.pdfx primaryx Raw objecty fulltext:print |
856 | 4 | u https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.0c01144 |
856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-416668 |
856 | 4 8 | u https://doi.org/10.1021/acs.jpclett.0c01144 |
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