Deformable complex network for refining low-resolution X-ray structures
Author
Zhang, Chong; Wang, Qinghua; Ma, Jianpeng
Date
2015Abstract
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.
Citation
Published Version
Keyword
deformable complex network; low-resolution X-ray refinement; homology modeling
Type
Journal article
Publisher
Citable link to this page
https://hdl.handle.net/1911/87463Rights
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.Link to License
http://creativecommons.org/licenses/by/4.0/Metadata
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