{ "access": { "embargo": { "active": false, "reason": null }, "files": "public", "record": "public", "status": "open" }, "created": "2020-10-14T08:05:40.317198+00:00", "custom_fields": {}, "deletion_status": { "is_deleted": false, "status": "P" }, "files": { "count": 1, "enabled": true, "entries": { "Structural Heterogeneity in Single Particle Imaging Using X\u2011ray.pdf": { "checksum": "md5:3c8fa3f55917b815592527c7bdf4edcd", "ext": "pdf", "id": "26a04944-8048-44a0-94fb-a927ea9e15a4", "key": "Structural Heterogeneity in Single Particle Imaging Using X\u2011ray.pdf", "metadata": null, "mimetype": "application/pdf", "size": 3227759 } }, "order": [], "total_bytes": 3227759 }, "id": "4087872", "is_draft": false, "is_published": true, "links": { "access": "https://zenodo.org/api/records/4087872/access", "access_links": "https://zenodo.org/api/records/4087872/access/links", "access_request": "https://zenodo.org/api/records/4087872/access/request", "access_users": "https://zenodo.org/api/records/4087872/access/users", "archive": "https://zenodo.org/api/records/4087872/files-archive", "archive_media": "https://zenodo.org/api/records/4087872/media-files-archive", "communities": "https://zenodo.org/api/records/4087872/communities", "communities-suggestions": "https://zenodo.org/api/records/4087872/communities-suggestions", "doi": "https://doi.org/10.5281/zenodo.4087872", "draft": "https://zenodo.org/api/records/4087872/draft", "files": "https://zenodo.org/api/records/4087872/files", "latest": "https://zenodo.org/api/records/4087872/versions/latest", "latest_html": "https://zenodo.org/records/4087872/latest", "media_files": "https://zenodo.org/api/records/4087872/media-files", "parent": "https://zenodo.org/api/records/4087871", "parent_doi": "https://zenodo.org/doi/10.5281/zenodo.4087871", "parent_html": "https://zenodo.org/records/4087871", "requests": "https://zenodo.org/api/records/4087872/requests", "reserve_doi": "https://zenodo.org/api/records/4087872/draft/pids/doi", "self": "https://zenodo.org/api/records/4087872", "self_doi": "https://zenodo.org/doi/10.5281/zenodo.4087872", "self_html": "https://zenodo.org/records/4087872", "self_iiif_manifest": "https://zenodo.org/api/iiif/record:4087872/manifest", "self_iiif_sequence": "https://zenodo.org/api/iiif/record:4087872/sequence/default", "versions": "https://zenodo.org/api/records/4087872/versions" }, "media_files": { "count": 0, "enabled": false, "entries": {}, "order": [], "total_bytes": 0 }, "metadata": { "creators": [ { "person_or_org": { "family_name": "Thomas Mandl", "name": "Thomas Mandl", "type": "personal" } }, { "person_or_org": { "family_name": "Christofer \u00d6stlin", "name": "Christofer \u00d6stlin", "type": "personal" } }, { "person_or_org": { "family_name": "Ibrahim E. Dawod", "name": "Ibrahim E. Dawod", "type": "personal" } }, { "person_or_org": { "family_name": "Maxim N. Brodmerkel", "name": "Maxim N. Brodmerkel", "type": "personal" } }, { "person_or_org": { "family_name": "Erik G. Marklund", "name": "Erik G. Marklund", "type": "personal" } }, { "person_or_org": { "family_name": "Andrew V. Martin", "name": "Andrew V. Martin", "type": "personal" } }, { "person_or_org": { "family_name": "Nicusor Timneanu", "name": "Nicusor Timneanu", "type": "personal" } }, { "person_or_org": { "family_name": "Carl Caleman", "name": "Carl Caleman", "type": "personal" } } ], "description": "
One of the challenges facing single particle imaging with ultrafast X-ray
\npulses is the structural heterogeneity of the sample to be imaged. For the method to succeed
\nwith weakly scattering samples, the diffracted images from a large number of individual
\nproteins need to be averaged. The more the individual proteins differ in structure, the lower
\nthe achievable resolution in the final reconstructed image. We use molecular dynamics to
\nsimulate two globular proteins in vacuum, fully desolvated as well as with two different
\nsolvation layers, at various temperatures. We calculate the diffraction patterns based on the
\nsimulations and evaluate the noise in the averaged patterns arising from the structural
\ndifferences and the surrounding water. Our simulations show that the presence of a minimal
\nwater coverage with an average 3 Å thickness will stabilize the protein, reducing the noise associated with structural heterogeneity,
\nwhereas additional water will generate more background noise.
Austria’s technical university of applied sciences
\r\n\r\nWith around 11,000 graduates thus far and 4,400 students, the University of Applied Sciences Technikum Wien is Austria’s only purely technical university of applied sciences. The educational offerings consist of 12 bachelor’s and 18 master’s degree programs.
\r\n\r\nIt became a member of the European University Association (EUA) in 2012 and is also a network partner of FEEI – Association of the Electrical and Electronics Industries.
\r\n\r\nhttps://www.technikum-wien.at/en/
\r\n\r\n\r\n\r\n
Austria’s technical university of applied sciences
\r\n\r\nWith around 11,000 graduates thus far and 4,400 students, the University of Applied Sciences Technikum Wien is Austria’s only purely technical university of applied sciences. The educational offerings consist of 12 bachelor’s and 18 master’s degree programs, which are offered as full-time, part-time and/or distance study programs. Four degree programs are taught in English. The educational offerings are based on a solid scientific foundation and are also practice-oriented. At UAS Technikum Wien, emphasis is not only placed on providing a high-quality technical education, but also on subjects with a focus on business and personal development. Close ties and collaborations with business and industry give students and graduates excellent career opportunities. The combination of theory and practical application is of central importance in both research and instruction.
\r\n\r\nThe research and development activities at UAS Technikum Wien have grown significantly in recent years and currently concentrate on our research focuses:
\r\n\r\nUAS Technikum Wien was founded in 1994 and in 2000 it became the first institution in Vienna to receive the status of a university of applied sciences. It became a member of the European University Association (EUA) in 2012 and is also a network partner of FEEI – Association of the Electrical and Electronics Industries.
\r\n\r\n", "title": "University of Applied Sciences Technikum Wien" }, "revision_id": 0, "slug": "fhtw", "updated": "2019-07-18T11:42:07.693881+00:00" } ], "ids": [ "aa836685-60ac-46ad-b311-2d9ad869b07f" ] }, "id": "4087871", "pids": { "doi": { "client": "datacite", "identifier": "10.5281/zenodo.4087871", "provider": "datacite" } } }, "pids": { "doi": { "client": "datacite", "identifier": "10.5281/zenodo.4087872", "provider": "datacite" }, "oai": { "identifier": "oai:zenodo.org:4087872", "provider": "oai" } }, "revision_id": 3, "stats": { "all_versions": { "data_volume": 229170889.0, "downloads": 71, "unique_downloads": 70, "unique_views": 248, "views": 269 }, "this_version": { "data_volume": 229170889.0, "downloads": 71, "unique_downloads": 70, "unique_views": 248, "views": 269 } }, "status": "published", "updated": "2021-03-22T12:21:58.417619+00:00", "versions": { "index": 1, "is_latest": true } }