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

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dc.citation.firstpage2150
dc.citation.journalTitleActa Crystallographica
dc.citation.lastpage2157
dc.citation.volumeNumberD71
dc.contributor.authorZhang, Chong
dc.contributor.authorWang, Qinghua
dc.contributor.authorMa, Jianpeng
dc.contributor.orgApplied Physics Program
dc.date.accessioned2015-12-10T17:03:09Z
dc.date.available2015-12-10T17:03:09Z
dc.date.issued2015
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.
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.
dc.identifier.doihttp://dx.doi.org/10.1107/S139900471501528X
dc.identifier.urihttps://hdl.handle.net/1911/87463
dc.language.isoeng
dc.publisherInternational Union of Crystallography
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.
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subject.keyworddeformable complex network
dc.subject.keywordlow-resolution X-ray refinement
dc.subject.keywordhomology modeling
dc.titleDeformable complex network for refining low-resolution X-ray structures
dc.typeJournal article
dc.type.dcmiText
dc.type.publicationpublisher version
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