Deformable complex network for refining low-resolution X-ray structures

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dc.citation.firstpage2150en_US
dc.citation.journalTitleActa Crystallographicaen_US
dc.citation.lastpage2157en_US
dc.citation.volumeNumberD71en_US
dc.contributor.authorZhang, Chongen_US
dc.contributor.authorWang, Qinghuaen_US
dc.contributor.authorMa, Jianpengen_US
dc.contributor.orgApplied Physics Programen_US
dc.date.accessioned2015-12-10T17:03:09Zen_US
dc.date.available2015-12-10T17:03:09Zen_US
dc.date.issued2015en_US
dc.description.abstractIn macromolecular X-ray crystallography, building more accurate atomic models based on lower resolution experimental diffraction data remains a great challenge. Previous studies have used a deformable elastic network (DEN) model to aid in low-resolution structural refinement. In this study, the development of a new refinement algorithm called the deformable complex network (DCN) is reported that combines a novel angular network-based restraint with the DEN model in the target function. Testing of DCN on a wide range of low-resolution structures demonstrated that it constantly leads to significantly improved structural models as judged by multiple refinement criteria, thus representing a new effective refinement tool for low-resolution structural determination.en_US
dc.identifier.citationZhang, Chong, Wang, Qinghua and Ma, Jianpeng. "Deformable complex network for refining low-resolution X-ray structures." <i>Acta Crystallographica,</i> D71, (2015) International Union of Crystallography: 2150-2157. http://dx.doi.org/10.1107/S139900471501528X.en_US
dc.identifier.doihttp://dx.doi.org/10.1107/S139900471501528Xen_US
dc.identifier.urihttps://hdl.handle.net/1911/87463en_US
dc.language.isoengen_US
dc.publisherInternational Union of Crystallographyen_US
dc.rightsThis is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.en_US
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/en_US
dc.subject.keyworddeformable complex networken_US
dc.subject.keywordlow-resolution X-ray refinementen_US
dc.subject.keywordhomology modelingen_US
dc.titleDeformable complex network for refining low-resolution X-ray structuresen_US
dc.typeJournal articleen_US
dc.type.dcmiTexten_US
dc.type.publicationpublisher versionen_US
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