Show simple item record

dc.contributor.authorZhang, Chong
Wang, Qinghua
Ma, Jianpeng
dc.date.accessioned 2015-12-10T17:03:09Z
dc.date.available 2015-12-10T17:03:09Z
dc.date.issued 2015
dc.identifier.citation Zhang, Chong, Wang, Qinghua and Ma, Jianpeng. "Deformable complex network for refining low-resolution X-ray structures." Acta Crystallographica, D71, (2015) International Union of Crystallography: 2150-2157. http://dx.doi.org/10.1107/S139900471501528X.
dc.identifier.urihttps://hdl.handle.net/1911/87463
dc.description.abstract In 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.language.iso eng
dc.publisher International Union of Crystallography
dc.rights This 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.title Deformable complex network for refining low-resolution X-ray structures
dc.type Journal article
dc.contributor.funder National Institutes of Health
dc.contributor.funder National Science Foundation
dc.contributor.funder Simmons Collaborative Research Fund Award from the Gulf Coast Consortium and The Welch Foundation
dc.contributor.funder Gillson-Longenbaugh Foundation
dc.citation.journalTitle Acta Crystallographica
dc.contributor.org Applied Physics Program
dc.subject.keyworddeformable complex network
low-resolution X-ray refinement
homology modeling
dc.citation.volumeNumber D71
dc.type.dcmi Text
dc.identifier.doihttp://dx.doi.org/10.1107/S139900471501528X
dc.identifier.pmcid PMC4631475
dc.identifier.pmid 26527134
dc.identifier.grantID R01-GM067801 (National Institutes of Health)
dc.identifier.grantID MCB-0818353 (National Science Foundation)
dc.identifier.grantID Q-1512 (Simmons Collaborative Research Fund Award from the Gulf Coast Consortium and The Welch Foundation)
dc.identifier.grantID R01-AI067839 (National Institutes of Health)
dc.identifier.grantID Q-1826 (Simmons Collaborative Research Fund Award from the Gulf Coast Consortium and The Welch Foundation)
dc.type.publication publisher version
dc.citation.firstpage 2150
dc.citation.lastpage 2157


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record