The ANSTO contribution to a project to provide experimental standards for SAS profile prediction

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dc.contributor.authorDuff, APen_AU
dc.contributor.authorKirby, Nen_AU
dc.contributor.authorRyan, Ten_AU
dc.contributor.authorTrewhella, Jen_AU
dc.contributor.authorWhitten, AEen_AU
dc.contributor.authorWood, Ken_AU
dc.date.accessioned2023-11-23T23:56:18Zen_AU
dc.date.available2023-11-23T23:56:18Zen_AU
dc.date.issued2020-11-11en_AU
dc.date.statistics2023-05-19en_AU
dc.description.abstractThe program CRYSOL1, was the first method developed to rapidly calculate small-angle scattering (SAS) profiles from atomic coordinates of biomolecules. It was a major breakthrough, providing the missing link between high-resolution structures and solution SAS data. The importance of this breakthrough is evident in the fact that decades later, alternate methods continue to be published with various claims of improvement. To date, each of the alternate methods published have been validated using different data sets and models. A consensus set of high quality data would be of considerable value in benchmarking the different approaches. In order to evaluate different approaches to including the hydration layer contribution to the SAS profile, it is desirable to have data obtained using X-rays (SAXS) and neutrons (SANS), the latter in H2O and D2O, as the hydration layer contribution differs significantly for each of these measurements. To develop a consensus set of high quality data, an international project involving the efforts of 37 researchers from 11 different X-ray and 3 different neutron scattering facilities across Asia, Europe and North Ⓒ The Authors.en_AU
dc.identifier.citationDuff, A., Kirby, N., Ryan, T., Trewhella, J., Whtten, A., & Wood, K. (2020). The ANSTO contribution to a project to provide experimental standards for SAS profile prediction. Poster presented to the ANBUG-AINSE Neutron Scattering Symposium, AANSS 2020, Virtual Meeting, 11th - 13th November 2020, (pp. 118). Retrieved from: https://events01.synchrotron.org.au/event/125/attachments/725/1149/AANSS_Abstract_Booklet_Complete_-_1_Page_Reduced.pdfen_AU
dc.identifier.conferenceenddate2020-11-11en_AU
dc.identifier.conferencenameANBUG-AINSE Neutron Scattering Symposium, AANSS 2020en_AU
dc.identifier.conferenceplaceVirtual Meetingen_AU
dc.identifier.conferencestartdate2020-11-13en_AU
dc.identifier.pagination119en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/15242en_AU
dc.language.isoenen_AU
dc.publisherAustralian Institure of Nuclear Sicence and Engineering (AINSE)en_AU
dc.relation.urihttps://events01.synchrotron.org.au/event/125/contributions/3692/contribution.pdfen_AU
dc.subjectSmall Angle Scatteringen_AU
dc.subjectDataen_AU
dc.subjectHydrationen_AU
dc.subjectLayersen_AU
dc.subjectNeutronsen_AU
dc.subjectANSTOen_AU
dc.titleThe ANSTO contribution to a project to provide experimental standards for SAS profile predictionen_AU
dc.typeConference Abstracten_AU
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